3-[5-[(5-carbamoyl-1-methylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]propanoic acid

C12H14N6O4 — CID 19490170

IUPAC3-[5-[(5-carbamoyl-1-methylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]propanoic acid
SMILESCn1ncc(NC(=O)c2ccnn2CCC(=O)O)c1C(N)=O
InChIInChI=1S/C12H14N6O4/c1-17-10(11(13)21)7(6-15-17)16-12(22)8-2-4-14-18(8)5-3-9(19)20/h2,4,6H,3,5H2,1H3,(H2,13,21)(H,16,22)(H,19,20)
InChIKeyMWXHOCVANLNYBJ-UHFFFAOYSA-N
MW306.28 g/mol
LogP-0.56
Rot. Bonds6

About 3-[5-[(5-carbamoyl-1-methylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]propanoic acid

3-[5-[(5-carbamoyl-1-methylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]propanoic acid (PubChem CID 19490170) has the molecular formula C12H14N6O4 and a molecular weight of 306.28 g/mol. Its IUPAC name is 3-[5-[(5-carbamoyl-1-methylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-[(5-carbamoyl-1-methylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]propanoic acid
PubChem CID19490170
Molecular FormulaC12H14N6O4
Molecular Weight306.28 g/mol
Exact Mass306.11
IUPAC Name3-[5-[(5-carbamoyl-1-methylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]propanoic acid
SMILESCn1ncc(NC(=O)c2ccnn2CCC(=O)O)c1C(N)=O
InChIInChI=1S/C12H14N6O4/c1-17-10(11(13)21)7(6-15-17)16-12(22)8-2-4-14-18(8)5-3-9(19)20/h2,4,6H,3,5H2,1H3,(H2,13,21)(H,16,22)(H,19,20)
InChIKeyMWXHOCVANLNYBJ-UHFFFAOYSA-N
XLogP-0.56
TPSA145.13 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.28
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

1-ethyl-4-[(2-methylpyrazole-3-carbonyl)amino]pyrazole-5-carboxamide
CID 4772781
3-(5-carbamoylpyrazol-1-yl)propanoic acid
CID 50896470
3-[5-[(2-methoxyphenyl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19490105
4-[(4-chloro-1-ethylpyrazole-5-carbonyl)amino]-1-methylpyrazole-5-carboxamide
CID 4771010
4-[(5-carbamoyl-1-methylpyrazol-4-yl)carbamoyl]-1-methylpyrazole-5-carboxylic acid
CID 19496258
4-[(4-chlorobenzoyl)amino]-1-methylpyrazole-5-carboxamide
CID 4862680
4-[(4-fluorobenzoyl)amino]-1-methylpyrazole-5-carboxamide
CID 4867279
3-[5-[(4-methyl-2-pyridinyl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19489957
5-[(5-carbamoyl-1-ethylpyrazol-4-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19494263
3-[5-[[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19491840
2-(2-carboxyethyl)pyrazole-3-carboxylic acid
CID 19494074
4-[(5-bromofuran-2-carbonyl)amino]-1-methylpyrazole-5-carboxamide
CID 4768049

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(5-carbamoyl-1-methylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]propanoic acid?
The IUPAC name of 3-[5-[(5-carbamoyl-1-methylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]propanoic acid (CID 19490170) is 3-[5-[(5-carbamoyl-1-methylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[5-[(5-carbamoyl-1-methylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]propanoic acid?
The canonical SMILES for 3-[5-[(5-carbamoyl-1-methylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]propanoic acid is Cn1ncc(NC(=O)c2ccnn2CCC(=O)O)c1C(N)=O.
What is the InChIKey of 3-[5-[(5-carbamoyl-1-methylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]propanoic acid?
The InChIKey is MWXHOCVANLNYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O4/c1-17-10(11(13)21)7(6-15-17)16-12(22)8-2-4-14-18(8)5-3-9(19)20/h2,4,6H,3,5H2,1H3,(H2,13,21)(H,16,22)(H,19,20).
What are the key properties of 3-[5-[(5-carbamoyl-1-methylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]propanoic acid?
3-[5-[(5-carbamoyl-1-methylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]propanoic acid has a molecular weight of 306.28 g/mol, XLogP of -0.56, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(5-carbamoyl-1-methylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 19490170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).