1-[1-[[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]amino]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid

C13H16N6O4 — CID 19470951

IUPAC1-[1-[[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]amino]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid
SMILESCNC(=O)c1nn(C)cc1NC(=O)C(C)n1cc(C(=O)O)cn1
InChIInChI=1S/C13H16N6O4/c1-7(19-5-8(4-15-19)13(22)23)11(20)16-9-6-18(3)17-10(9)12(21)14-2/h4-7H,1-3H3,(H,14,21)(H,16,20)(H,22,23)
InChIKeyYYSFPFBOUAZDSP-UHFFFAOYSA-N
MW320.31 g/mol
LogP-0.13
Rot. Bonds5

About 1-[1-[[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]amino]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid

1-[1-[[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]amino]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid (PubChem CID 19470951) has the molecular formula C13H16N6O4 and a molecular weight of 320.31 g/mol. Its IUPAC name is 1-[1-[[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]amino]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-[[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]amino]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid
PubChem CID19470951
Molecular FormulaC13H16N6O4
Molecular Weight320.31 g/mol
Exact Mass320.12
IUPAC Name1-[1-[[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]amino]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid
SMILESCNC(=O)c1nn(C)cc1NC(=O)C(C)n1cc(C(=O)O)cn1
InChIInChI=1S/C13H16N6O4/c1-7(19-5-8(4-15-19)13(22)23)11(20)16-9-6-18(3)17-10(9)12(21)14-2/h4-7H,1-3H3,(H,14,21)(H,16,20)(H,22,23)
InChIKeyYYSFPFBOUAZDSP-UHFFFAOYSA-N
XLogP-0.13
TPSA131.14 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N,1-dimethyl-4-[2-(3-methyl-4-nitropyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide
CID 19533250
1-[1-(3-methoxypropylamino)-1-oxopropan-2-yl]pyrazole-4-carboxylic acid
CID 19622412
N,1-dimethyl-4-[[2-methyl-3-(4-nitropyrazol-1-yl)propanoyl]amino]pyrazole-3-carboxamide
CID 19564157
1-[1-[4-(diethylamino)anilino]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid
CID 19504874
1-[1-(3,4-difluoroanilino)-1-oxopropan-2-yl]pyrazole-4-carboxylic acid
CID 19504919
1-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-oxopropan-2-yl]pyrazole-4-carboxylic acid
CID 19622504
4-[(2-chloroacetyl)amino]-N,1-dimethylpyrazole-3-carboxamide
CID 19410660
4-[2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-N,1-dimethylpyrazole-3-carboxamide
CID 19531738
N,1-dimethyl-4-[3-(4-methylpyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide
CID 19559794
1-[1-[3-(4-bromopyrazol-1-yl)propylamino]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid
CID 19505060
1-[1-oxo-1-[1-(4-propan-2-ylphenyl)ethylamino]propan-2-yl]pyrazole-4-carboxylic acid
CID 19504978
4-[(4-ethylbenzoyl)amino]-N,1-dimethylpyrazole-3-carboxamide
CID 19410625

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]amino]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid?
The IUPAC name of 1-[1-[[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]amino]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid (CID 19470951) is 1-[1-[[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]amino]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-[1-[[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]amino]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid?
The canonical SMILES for 1-[1-[[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]amino]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid is CNC(=O)c1nn(C)cc1NC(=O)C(C)n1cc(C(=O)O)cn1.
What is the InChIKey of 1-[1-[[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]amino]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid?
The InChIKey is YYSFPFBOUAZDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O4/c1-7(19-5-8(4-15-19)13(22)23)11(20)16-9-6-18(3)17-10(9)12(21)14-2/h4-7H,1-3H3,(H,14,21)(H,16,20)(H,22,23).
What are the key properties of 1-[1-[[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]amino]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid?
1-[1-[[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]amino]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid has a molecular weight of 320.31 g/mol, XLogP of -0.13, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]amino]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 19470951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).