2-[5-[(1,3-dimethylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]propanoic acid

C12H15N5O3 — CID 19487828

IUPAC2-[5-[(1,3-dimethylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]propanoic acid
SMILESCc1nn(C)cc1NC(=O)c1ccnn1C(C)C(=O)O
InChIInChI=1S/C12H15N5O3/c1-7-9(6-16(3)15-7)14-11(18)10-4-5-13-17(10)8(2)12(19)20/h4-6,8H,1-3H3,(H,14,18)(H,19,20)
InChIKeyJRAOOWLWNONNJI-UHFFFAOYSA-N
MW277.28 g/mol
LogP0.82
Rot. Bonds4

About 2-[5-[(1,3-dimethylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]propanoic acid

2-[5-[(1,3-dimethylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]propanoic acid (PubChem CID 19487828) has the molecular formula C12H15N5O3 and a molecular weight of 277.28 g/mol. Its IUPAC name is 2-[5-[(1,3-dimethylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[5-[(1,3-dimethylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]propanoic acid
PubChem CID19487828
Molecular FormulaC12H15N5O3
Molecular Weight277.28 g/mol
Exact Mass277.12
IUPAC Name2-[5-[(1,3-dimethylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]propanoic acid
SMILESCc1nn(C)cc1NC(=O)c1ccnn1C(C)C(=O)O
InChIInChI=1S/C12H15N5O3/c1-7-9(6-16(3)15-7)14-11(18)10-4-5-13-17(10)8(2)12(19)20/h4-6,8H,1-3H3,(H,14,18)(H,19,20)
InChIKeyJRAOOWLWNONNJI-UHFFFAOYSA-N
XLogP0.82
TPSA102.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-dimethylpyrazol-4-yl)-2-ethylpyrazole-3-carboxamide
CID 19345990
2-[5-[[1-[1-(4-ethoxycarbonylpiperazin-1-yl)-1-oxopropan-2-yl]-3-methylpyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19487765
5-[(1,3-dimethylpyrazol-4-yl)carbamoyl]furan-2-carboxylic acid
CID 102806931
2-[5-[[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-ethylpyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19487755
2-[5-[[1-methyl-5-(propylcarbamoyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19487704
2-(1-carboxyethyl)pyrazole-3-carboxylic acid
CID 19489942
2-[5-[(1-methylpyrazol-3-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19487657
2-[5-[[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19485826
2-[(1,3-dimethylpyrazol-4-yl)carbamoyl]-3,6-dimethylbenzoic acid
CID 103429481
2-[5-[3-(4-chloro-3-methylpyrazol-1-yl)propylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19487678
2-[1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 19489681
2-[5-[(3-chloro-4-fluorophenyl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19485877

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(1,3-dimethylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]propanoic acid?
The IUPAC name of 2-[5-[(1,3-dimethylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]propanoic acid (CID 19487828) is 2-[5-[(1,3-dimethylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 2-[5-[(1,3-dimethylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]propanoic acid?
The canonical SMILES for 2-[5-[(1,3-dimethylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]propanoic acid is Cc1nn(C)cc1NC(=O)c1ccnn1C(C)C(=O)O.
What is the InChIKey of 2-[5-[(1,3-dimethylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]propanoic acid?
The InChIKey is JRAOOWLWNONNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O3/c1-7-9(6-16(3)15-7)14-11(18)10-4-5-13-17(10)8(2)12(19)20/h4-6,8H,1-3H3,(H,14,18)(H,19,20).
What are the key properties of 2-[5-[(1,3-dimethylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]propanoic acid?
2-[5-[(1,3-dimethylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]propanoic acid has a molecular weight of 277.28 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(1,3-dimethylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 19487828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).