2-[3-(3-pyrazol-1-ylpropylcarbamoyl)pyrazol-1-yl]propanoic acid

C13H17N5O3 — CID 19504324

IUPAC2-[3-(3-pyrazol-1-ylpropylcarbamoyl)pyrazol-1-yl]propanoic acid
SMILESCC(C(=O)O)n1ccc(C(=O)NCCCn2cccn2)n1
InChIInChI=1S/C13H17N5O3/c1-10(13(20)21)18-9-4-11(16-18)12(19)14-5-2-7-17-8-3-6-15-17/h3-4,6,8-10H,2,5,7H2,1H3,(H,14,19)(H,20,21)
InChIKeyCCNCZGKWDWQUIG-UHFFFAOYSA-N
MW291.31 g/mol
LogP0.55
Rot. Bonds7

About 2-[3-(3-pyrazol-1-ylpropylcarbamoyl)pyrazol-1-yl]propanoic acid

2-[3-(3-pyrazol-1-ylpropylcarbamoyl)pyrazol-1-yl]propanoic acid (PubChem CID 19504324) has the molecular formula C13H17N5O3 and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-[3-(3-pyrazol-1-ylpropylcarbamoyl)pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[3-(3-pyrazol-1-ylpropylcarbamoyl)pyrazol-1-yl]propanoic acid
PubChem CID19504324
Molecular FormulaC13H17N5O3
Molecular Weight291.31 g/mol
Exact Mass291.13
IUPAC Name2-[3-(3-pyrazol-1-ylpropylcarbamoyl)pyrazol-1-yl]propanoic acid
SMILESCC(C(=O)O)n1ccc(C(=O)NCCCn2cccn2)n1
InChIInChI=1S/C13H17N5O3/c1-10(13(20)21)18-9-4-11(16-18)12(19)14-5-2-7-17-8-3-6-15-17/h3-4,6,8-10H,2,5,7H2,1H3,(H,14,19)(H,20,21)
InChIKeyCCNCZGKWDWQUIG-UHFFFAOYSA-N
XLogP0.55
TPSA102.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3-(propylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19623448
2-[4-(3-pyrazol-1-ylpropylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19504757
2-[3-(2-pyrazol-1-ylethylcarbamoyl)pyrazol-1-yl]acetic acid
CID 19623378
2-[3-(methylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19623442
2-[3-[(1-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19623498
2-[3-[2-(4-methoxyphenyl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19623530
1-[(3-nitro-1,2,4-triazol-1-yl)methyl]-N-(3-pyrazol-1-ylpropyl)pyrazole-3-carboxamide
CID 19271612
N-(3-pyrazol-1-ylpropyl)pyridine-4-carboxamide
CID 35285072
N-(10-pyrazol-1-yldecyl)benzamide
CID 14662167
N-hexyl-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
CID 19264482
2-[3-(1-phenylpropylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19504138
3-(3-pyrazol-1-ylpropylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107369939

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-pyrazol-1-ylpropylcarbamoyl)pyrazol-1-yl]propanoic acid?
The IUPAC name of 2-[3-(3-pyrazol-1-ylpropylcarbamoyl)pyrazol-1-yl]propanoic acid (CID 19504324) is 2-[3-(3-pyrazol-1-ylpropylcarbamoyl)pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 2-[3-(3-pyrazol-1-ylpropylcarbamoyl)pyrazol-1-yl]propanoic acid?
The canonical SMILES for 2-[3-(3-pyrazol-1-ylpropylcarbamoyl)pyrazol-1-yl]propanoic acid is CC(C(=O)O)n1ccc(C(=O)NCCCn2cccn2)n1.
What is the InChIKey of 2-[3-(3-pyrazol-1-ylpropylcarbamoyl)pyrazol-1-yl]propanoic acid?
The InChIKey is CCNCZGKWDWQUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O3/c1-10(13(20)21)18-9-4-11(16-18)12(19)14-5-2-7-17-8-3-6-15-17/h3-4,6,8-10H,2,5,7H2,1H3,(H,14,19)(H,20,21).
What are the key properties of 2-[3-(3-pyrazol-1-ylpropylcarbamoyl)pyrazol-1-yl]propanoic acid?
2-[3-(3-pyrazol-1-ylpropylcarbamoyl)pyrazol-1-yl]propanoic acid has a molecular weight of 291.31 g/mol, XLogP of 0.55, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-pyrazol-1-ylpropylcarbamoyl)pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 19504324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).