1-methyl-4-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamoyl]pyrazole-5-carboxylic acid

C14H19N5O3 — CID 19623887

IUPAC1-methyl-4-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamoyl]pyrazole-5-carboxylic acid
SMILESCc1nn(C)c(C)c1CN(C)C(=O)c1cnn(C)c1C(=O)O
InChIInChI=1S/C14H19N5O3/c1-8-11(9(2)18(4)16-8)7-17(3)13(20)10-6-15-19(5)12(10)14(21)22/h6H,7H2,1-5H3,(H,21,22)
InChIKeyGCNQPULHUCOLQU-UHFFFAOYSA-N
MW305.34 g/mol
LogP0.74
Rot. Bonds4

About 1-methyl-4-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamoyl]pyrazole-5-carboxylic acid

1-methyl-4-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamoyl]pyrazole-5-carboxylic acid (PubChem CID 19623887) has the molecular formula C14H19N5O3 and a molecular weight of 305.34 g/mol. Its IUPAC name is 1-methyl-4-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamoyl]pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name1-methyl-4-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamoyl]pyrazole-5-carboxylic acid
PubChem CID19623887
Molecular FormulaC14H19N5O3
Molecular Weight305.34 g/mol
Exact Mass305.15
IUPAC Name1-methyl-4-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamoyl]pyrazole-5-carboxylic acid
SMILESCc1nn(C)c(C)c1CN(C)C(=O)c1cnn(C)c1C(=O)O
InChIInChI=1S/C14H19N5O3/c1-8-11(9(2)18(4)16-8)7-17(3)13(20)10-6-15-19(5)12(10)14(21)22/h6H,7H2,1-5H3,(H,21,22)
InChIKeyGCNQPULHUCOLQU-UHFFFAOYSA-N
XLogP0.74
TPSA93.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,1,3,5-tetramethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 19477956
4-bromo-N,1,3-trimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-5-carboxamide
CID 19478610
N-methyl-1-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 70716625
4-iodo-N,1-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
CID 19277979
2-[5-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19485845
1-methylpyrazole-4,5-dicarboxylic acid
CID 19623309
4-[ethyl-[(1-ethyl-3-methylpyrazol-4-yl)methyl]carbamoyl]-1-methylpyrazole-5-carboxylic acid
CID 19623892
4-[[(1,5-dimethylpyrazole-4-carbonyl)-methylamino]methyl]benzoic acid
CID 60978715
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-3-(4-methylpyrazol-1-yl)propanamide
CID 19558308
N-methyl-3-phenyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2,4-thiadiazole-5-carboxamide
CID 154784788
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N,1-dimethylpyrazole-3-carboxamide
CID 19575675
5,7-bis(difluoromethyl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19440887

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamoyl]pyrazole-5-carboxylic acid?
The IUPAC name of 1-methyl-4-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamoyl]pyrazole-5-carboxylic acid (CID 19623887) is 1-methyl-4-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamoyl]pyrazole-5-carboxylic acid.
What is the SMILES notation for 1-methyl-4-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamoyl]pyrazole-5-carboxylic acid?
The canonical SMILES for 1-methyl-4-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamoyl]pyrazole-5-carboxylic acid is Cc1nn(C)c(C)c1CN(C)C(=O)c1cnn(C)c1C(=O)O.
What is the InChIKey of 1-methyl-4-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamoyl]pyrazole-5-carboxylic acid?
The InChIKey is GCNQPULHUCOLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3/c1-8-11(9(2)18(4)16-8)7-17(3)13(20)10-6-15-19(5)12(10)14(21)22/h6H,7H2,1-5H3,(H,21,22).
What are the key properties of 1-methyl-4-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamoyl]pyrazole-5-carboxylic acid?
1-methyl-4-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamoyl]pyrazole-5-carboxylic acid has a molecular weight of 305.34 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamoyl]pyrazole-5-carboxylic acid is sourced from PubChem (CID 19623887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).