1-(2-{Methyl[(1,3,5-trimethyl-1H-pyrazol-4-YL)methyl]amino}-2-oxoethyl)-1H-pyrazole-4-carboxylic acid

HCID 19622366

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Basic information

CAS: 1006494-15-0
Standard SMILES: Cc1nn(C)c(C)c1CN(C)C(=O)Cn1cc(C(=O)O)cn1
InChIKey: NWAPLIOTFMEQDO-UHFFFAOYSA-N
Molecular formula: C14H19N5O3
Average molar mass: 305.33 g/mol
Monoisotopic mass: 305.14878949

Names & identifiers

Preferred name: 1-(2-{Methyl[(1,3,5-trimethyl-1H-pyrazol-4-YL)methyl]amino}-2-oxoethyl)-1H-pyrazole-4-carboxylic acid
IUPAC: 1-[2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-2-oxoethyl]pyrazole-4-carboxylic acid

Names & synonyms

1-(2-{METHYL[(1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL)METHYL]AMINO}-2-OXOETHYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID1-[2-[Methyl[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]amino]-2-oxoethyl]-1H-pyrazole-4-carboxylic acidDTXSID1011128751006494-15-0

Database identifiers

CAS: 1006494-15-0
PubChem CID: 19622366
DTXSID: DTXSID101112875

Properties

Computed structural properties

XLogP: 0
Topological polar surface area: 93.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 5
Heavy atoms: 22
Formal charge: 0
Complexity: 433

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