1-[2-[[1-methyl-5-(propylcarbamoyl)pyrazol-4-yl]amino]-2-oxoethyl]pyrazole-4-carboxylic acid

C14H18N6O4 — CID 19502712

IUPAC1-[2-[[1-methyl-5-(propylcarbamoyl)pyrazol-4-yl]amino]-2-oxoethyl]pyrazole-4-carboxylic acid
SMILESCCCNC(=O)c1c(NC(=O)Cn2cc(C(=O)O)cn2)cnn1C
InChIInChI=1S/C14H18N6O4/c1-3-4-15-13(22)12-10(6-16-19(12)2)18-11(21)8-20-7-9(5-17-20)14(23)24/h5-7H,3-4,8H2,1-2H3,(H,15,22)(H,18,21)(H,23,24)
InChIKeyGKEVEAQHUQWWMU-UHFFFAOYSA-N
MW334.34 g/mol
LogP0.09
Rot. Bonds7

About 1-[2-[[1-methyl-5-(propylcarbamoyl)pyrazol-4-yl]amino]-2-oxoethyl]pyrazole-4-carboxylic acid

1-[2-[[1-methyl-5-(propylcarbamoyl)pyrazol-4-yl]amino]-2-oxoethyl]pyrazole-4-carboxylic acid (PubChem CID 19502712) has the molecular formula C14H18N6O4 and a molecular weight of 334.34 g/mol. Its IUPAC name is 1-[2-[[1-methyl-5-(propylcarbamoyl)pyrazol-4-yl]amino]-2-oxoethyl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[[1-methyl-5-(propylcarbamoyl)pyrazol-4-yl]amino]-2-oxoethyl]pyrazole-4-carboxylic acid
PubChem CID19502712
Molecular FormulaC14H18N6O4
Molecular Weight334.34 g/mol
Exact Mass334.14
IUPAC Name1-[2-[[1-methyl-5-(propylcarbamoyl)pyrazol-4-yl]amino]-2-oxoethyl]pyrazole-4-carboxylic acid
SMILESCCCNC(=O)c1c(NC(=O)Cn2cc(C(=O)O)cn2)cnn1C
InChIInChI=1S/C14H18N6O4/c1-3-4-15-13(22)12-10(6-16-19(12)2)18-11(21)8-20-7-9(5-17-20)14(23)24/h5-7H,3-4,8H2,1-2H3,(H,15,22)(H,18,21)(H,23,24)
InChIKeyGKEVEAQHUQWWMU-UHFFFAOYSA-N
XLogP0.09
TPSA131.14 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-[2-[[1-methyl-5-(propylcarbamoyl)pyrazol-4-yl]amino]-2-oxoethyl]pyrazole-4-carboxylic acid with MolForge

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Related Compounds

1-methyl-4-[[2-(3-methyl-4-nitropyrazol-1-yl)acetyl]amino]-N-propylpyrazole-5-carboxamide
CID 19396291
4-[[2-(4-chloro-5-methylpyrazol-1-yl)acetyl]amino]-1-methyl-N-propylpyrazole-5-carboxamide
CID 19396300
4-[[2-(4-bromopyrazol-1-yl)acetyl]amino]-1-methylpyrazole-5-carboxylic acid
CID 19406183
4-(cyclopropanecarbonylamino)-1-methyl-N-propylpyrazole-5-carboxamide
CID 19396172
4-[[2-(4-chloropyrazol-1-yl)acetyl]amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide
CID 19525062
2-[5-[[1-methyl-5-(propylcarbamoyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19487704
1-methyl-4-[[4-[(4-nitropyrazol-1-yl)methyl]benzoyl]amino]-N-propylpyrazole-5-carboxamide
CID 19396173
1-methyl-4-[(2-methylbenzoyl)amino]-N-propylpyrazole-5-carboxamide
CID 4865439
2-[4-[[1-methyl-5-[(1-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid
CID 19500749
4-[(2,5-dimethylbenzoyl)amino]-1-methyl-N-propylpyrazole-5-carboxamide
CID 19396369
1-[2-(4-acetylanilino)-2-oxoethyl]pyrazole-4-carboxylic acid
CID 19502529
1-methyl-N-propyl-4-[[3-(pyrazol-1-ylmethyl)benzoyl]amino]pyrazole-5-carboxamide
CID 19396361

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[1-methyl-5-(propylcarbamoyl)pyrazol-4-yl]amino]-2-oxoethyl]pyrazole-4-carboxylic acid?
The IUPAC name of 1-[2-[[1-methyl-5-(propylcarbamoyl)pyrazol-4-yl]amino]-2-oxoethyl]pyrazole-4-carboxylic acid (CID 19502712) is 1-[2-[[1-methyl-5-(propylcarbamoyl)pyrazol-4-yl]amino]-2-oxoethyl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-[[1-methyl-5-(propylcarbamoyl)pyrazol-4-yl]amino]-2-oxoethyl]pyrazole-4-carboxylic acid?
The canonical SMILES for 1-[2-[[1-methyl-5-(propylcarbamoyl)pyrazol-4-yl]amino]-2-oxoethyl]pyrazole-4-carboxylic acid is CCCNC(=O)c1c(NC(=O)Cn2cc(C(=O)O)cn2)cnn1C.
What is the InChIKey of 1-[2-[[1-methyl-5-(propylcarbamoyl)pyrazol-4-yl]amino]-2-oxoethyl]pyrazole-4-carboxylic acid?
The InChIKey is GKEVEAQHUQWWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O4/c1-3-4-15-13(22)12-10(6-16-19(12)2)18-11(21)8-20-7-9(5-17-20)14(23)24/h5-7H,3-4,8H2,1-2H3,(H,15,22)(H,18,21)(H,23,24).
What are the key properties of 1-[2-[[1-methyl-5-(propylcarbamoyl)pyrazol-4-yl]amino]-2-oxoethyl]pyrazole-4-carboxylic acid?
1-[2-[[1-methyl-5-(propylcarbamoyl)pyrazol-4-yl]amino]-2-oxoethyl]pyrazole-4-carboxylic acid has a molecular weight of 334.34 g/mol, XLogP of 0.09, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[1-methyl-5-(propylcarbamoyl)pyrazol-4-yl]amino]-2-oxoethyl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 19502712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).