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

C10H15N3O3 — CID 19623448

IUPAC2-[3-(propylcarbamoyl)pyrazol-1-yl]propanoic acid
SMILESCCCNC(=O)c1ccn(C(C)C(=O)O)n1
InChIInChI=1S/C10H15N3O3/c1-3-5-11-9(14)8-4-6-13(12-8)7(2)10(15)16/h4,6-7H,3,5H2,1-2H3,(H,11,14)(H,15,16)
InChIKeyIAWMMPOULWTVCF-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.67
Rot. Bonds5

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

2-[3-(propylcarbamoyl)pyrazol-1-yl]propanoic acid (PubChem CID 19623448) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-[3-(propylcarbamoyl)pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[3-(propylcarbamoyl)pyrazol-1-yl]propanoic acid
PubChem CID19623448
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name2-[3-(propylcarbamoyl)pyrazol-1-yl]propanoic acid
SMILESCCCNC(=O)c1ccn(C(C)C(=O)O)n1
InChIInChI=1S/C10H15N3O3/c1-3-5-11-9(14)8-4-6-13(12-8)7(2)10(15)16/h4,6-7H,3,5H2,1-2H3,(H,11,14)(H,15,16)
InChIKeyIAWMMPOULWTVCF-UHFFFAOYSA-N
XLogP0.67
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(3-pyrazol-1-ylpropylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19504324
2-[3-(methylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19623442
2-[3-[2-(4-methoxyphenyl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19623530
2-[3-(dimethylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19623443
2-[3-(1-phenylpropylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19504138
2-[3-[(1-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19623498
2-[3-[(4-phenylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19504136
2-[3-[[4-[(4-chloropyrazol-1-yl)methyl]phenyl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19504401
N-[2-(diethylamino)ethyl]-1-(difluoromethyl)pyrazole-3-carboxamide
CID 19264128
2-[3-[[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19504318
2-[3-[(4-fluoro-2-methylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19504084
4-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]-1-ethyl-N-propylpyrazole-3-carboxamide
CID 5241870

Frequently Asked Questions

What is the IUPAC name of 2-[3-(propylcarbamoyl)pyrazol-1-yl]propanoic acid?
The IUPAC name of 2-[3-(propylcarbamoyl)pyrazol-1-yl]propanoic acid (CID 19623448) is 2-[3-(propylcarbamoyl)pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 2-[3-(propylcarbamoyl)pyrazol-1-yl]propanoic acid?
The canonical SMILES for 2-[3-(propylcarbamoyl)pyrazol-1-yl]propanoic acid is CCCNC(=O)c1ccn(C(C)C(=O)O)n1.
What is the InChIKey of 2-[3-(propylcarbamoyl)pyrazol-1-yl]propanoic acid?
The InChIKey is IAWMMPOULWTVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-3-5-11-9(14)8-4-6-13(12-8)7(2)10(15)16/h4,6-7H,3,5H2,1-2H3,(H,11,14)(H,15,16).
What are the key properties of 2-[3-(propylcarbamoyl)pyrazol-1-yl]propanoic acid?
2-[3-(propylcarbamoyl)pyrazol-1-yl]propanoic acid has a molecular weight of 225.25 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(propylcarbamoyl)pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 19623448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).