1-methyl-4-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)pyrazole-5-carboxylic acid

C12H15N5O3 — CID 19496461

IUPAC1-methyl-4-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)pyrazole-5-carboxylic acid
SMILESCC(Cn1cccn1)NC(=O)c1cnn(C)c1C(=O)O
InChIInChI=1S/C12H15N5O3/c1-8(7-17-5-3-4-13-17)15-11(18)9-6-14-16(2)10(9)12(19)20/h3-6,8H,7H2,1-2H3,(H,15,18)(H,19,20)
InChIKeyRNSTVNUCFHBSPR-UHFFFAOYSA-N
MW277.28 g/mol
LogP0.13
Rot. Bonds5

About 1-methyl-4-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)pyrazole-5-carboxylic acid

1-methyl-4-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)pyrazole-5-carboxylic acid (PubChem CID 19496461) has the molecular formula C12H15N5O3 and a molecular weight of 277.28 g/mol. Its IUPAC name is 1-methyl-4-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name1-methyl-4-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)pyrazole-5-carboxylic acid
PubChem CID19496461
Molecular FormulaC12H15N5O3
Molecular Weight277.28 g/mol
Exact Mass277.12
IUPAC Name1-methyl-4-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)pyrazole-5-carboxylic acid
SMILESCC(Cn1cccn1)NC(=O)c1cnn(C)c1C(=O)O
InChIInChI=1S/C12H15N5O3/c1-8(7-17-5-3-4-13-17)15-11(18)9-6-14-16(2)10(9)12(19)20/h3-6,8H,7H2,1-2H3,(H,15,18)(H,19,20)
InChIKeyRNSTVNUCFHBSPR-UHFFFAOYSA-N
XLogP0.13
TPSA102.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)benzoic acid
CID 60940603
2-(ethylamino)-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 62178733
5,7-dimethyl-N-(1-pyrazol-1-ylpropan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 110226468
2,4-diamino-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 61459775
5-chloro-2-(methylamino)-N-(1-pyrazol-1-ylpropan-2-yl)pyridine-4-carboxamide
CID 114923229
3,5-dihydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 103891981
3-bromo-2-chloro-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 103994641
4-fluoro-2-hydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 103829742
2-amino-5-hydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 107074869
4-bromo-N-(1-pyrazol-1-ylpropan-2-yl)-2-sulfanylbenzamide
CID 107024915
N-heptan-2-yl-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 51053307
2-[5-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19487864

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)pyrazole-5-carboxylic acid?
The IUPAC name of 1-methyl-4-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)pyrazole-5-carboxylic acid (CID 19496461) is 1-methyl-4-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)pyrazole-5-carboxylic acid.
What is the SMILES notation for 1-methyl-4-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)pyrazole-5-carboxylic acid?
The canonical SMILES for 1-methyl-4-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)pyrazole-5-carboxylic acid is CC(Cn1cccn1)NC(=O)c1cnn(C)c1C(=O)O.
What is the InChIKey of 1-methyl-4-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)pyrazole-5-carboxylic acid?
The InChIKey is RNSTVNUCFHBSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O3/c1-8(7-17-5-3-4-13-17)15-11(18)9-6-14-16(2)10(9)12(19)20/h3-6,8H,7H2,1-2H3,(H,15,18)(H,19,20).
What are the key properties of 1-methyl-4-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)pyrazole-5-carboxylic acid?
1-methyl-4-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)pyrazole-5-carboxylic acid has a molecular weight of 277.28 g/mol, XLogP of 0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)pyrazole-5-carboxylic acid is sourced from PubChem (CID 19496461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).