3-(5-propyl-1H-pyrazol-4-yl)propanoic acid

C9H14N2O2 — CID 23006024

IUPAC3-(5-propyl-1H-pyrazol-4-yl)propanoic acid
SMILESCCCc1[nH]ncc1CCC(=O)O
InChIInChI=1S/C9H14N2O2/c1-2-3-8-7(6-10-11-8)4-5-9(12)13/h6H,2-5H2,1H3,(H,10,11)(H,12,13)
InChIKeyRXYUSYFBLZOWFD-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.38
Rot. Bonds5

About 3-(5-propyl-1H-pyrazol-4-yl)propanoic acid

3-(5-propyl-1H-pyrazol-4-yl)propanoic acid (PubChem CID 23006024) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 3-(5-propyl-1H-pyrazol-4-yl)propanoic acid.

Molecular Properties

Compound Name3-(5-propyl-1H-pyrazol-4-yl)propanoic acid
PubChem CID23006024
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name3-(5-propyl-1H-pyrazol-4-yl)propanoic acid
SMILESCCCc1[nH]ncc1CCC(=O)O
InChIInChI=1S/C9H14N2O2/c1-2-3-8-7(6-10-11-8)4-5-9(12)13/h6H,2-5H2,1H3,(H,10,11)(H,12,13)
InChIKeyRXYUSYFBLZOWFD-UHFFFAOYSA-N
XLogP1.38
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid
CID 776058
4,5,6,7-tetrahydro-1H-indazole-6-carboxylic acid
CID 56807087
3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanoic acid
CID 23005990
methyl 4,5,6,7-tetrahydro-1H-indazole-5-carboxylate
CID 55279075
4,5,6,7-tetrahydro-1H-indazole-7-carboxylic acid
CID 68504449
4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid
CID 71607210
4,5,6,7-tetrahydro-1H-indazole-4-carboxylic acid
CID 71695302
2-(4,5,6,7-tetrahydro-1H-indazol-7-yl)acetic acid
CID 82409068
2-(4,5,6,7-tetrahydro-1H-indazol-4-yl)acetic acid
CID 82409116
2-(4-(2,2-dimethylpropyl)-1H-pyrazol-3-yl)acetic acid
CID 96622066
4,5,6,7-tetrahydro-1H-indazole-7-carboxylic acid hydrochloride
CID 132353812
4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid hydrochloride
CID 155822215

Frequently Asked Questions

What is the IUPAC name of 3-(5-propyl-1H-pyrazol-4-yl)propanoic acid?
The IUPAC name of 3-(5-propyl-1H-pyrazol-4-yl)propanoic acid (CID 23006024) is 3-(5-propyl-1H-pyrazol-4-yl)propanoic acid.
What is the SMILES notation for 3-(5-propyl-1H-pyrazol-4-yl)propanoic acid?
The canonical SMILES for 3-(5-propyl-1H-pyrazol-4-yl)propanoic acid is CCCc1[nH]ncc1CCC(=O)O.
What is the InChIKey of 3-(5-propyl-1H-pyrazol-4-yl)propanoic acid?
The InChIKey is RXYUSYFBLZOWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-2-3-8-7(6-10-11-8)4-5-9(12)13/h6H,2-5H2,1H3,(H,10,11)(H,12,13).
What are the key properties of 3-(5-propyl-1H-pyrazol-4-yl)propanoic acid?
3-(5-propyl-1H-pyrazol-4-yl)propanoic acid has a molecular weight of 182.22 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-propyl-1H-pyrazol-4-yl)propanoic acid is sourced from PubChem (CID 23006024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).