3-[4-(2-hydroxypropyl)phenyl]-1H-pyrazole-5-carboxylic acid

C13H14N2O3 — CID 117367670

IUPAC3-[4-(2-hydroxypropyl)phenyl]-1H-pyrazole-5-carboxylic acid
SMILESCC(O)Cc1ccc(-c2cc(C(=O)O)[nH]n2)cc1
InChIInChI=1S/C13H14N2O3/c1-8(16)6-9-2-4-10(5-3-9)11-7-12(13(17)18)15-14-11/h2-5,7-8,16H,6H2,1H3,(H,14,15)(H,17,18)
InChIKeyYDPLESKLXXOTEW-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.70
Rot. Bonds4

About 3-[4-(2-hydroxypropyl)phenyl]-1H-pyrazole-5-carboxylic acid

3-[4-(2-hydroxypropyl)phenyl]-1H-pyrazole-5-carboxylic acid (PubChem CID 117367670) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 3-[4-(2-hydroxypropyl)phenyl]-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[4-(2-hydroxypropyl)phenyl]-1H-pyrazole-5-carboxylic acid
PubChem CID117367670
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name3-[4-(2-hydroxypropyl)phenyl]-1H-pyrazole-5-carboxylic acid
SMILESCC(O)Cc1ccc(-c2cc(C(=O)O)[nH]n2)cc1
InChIInChI=1S/C13H14N2O3/c1-8(16)6-9-2-4-10(5-3-9)11-7-12(13(17)18)15-14-11/h2-5,7-8,16H,6H2,1H3,(H,14,15)(H,17,18)
InChIKeyYDPLESKLXXOTEW-UHFFFAOYSA-N
XLogP1.70
TPSA86.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(2,2-difluoroethyl)phenyl]-1H-pyrazole-5-carboxylic acid
CID 117383204
3-[4-(2,2-difluoropropyl)phenyl]-1H-pyrazole-5-carboxylic acid
CID 117419278
3-[4-(1,2-dihydroxyethyl)phenyl]-1H-pyrazole-5-carboxylic acid
CID 117373000
ethyl 3-[4-(2-methylpropyl)phenyl]-1H-pyrazole-5-carboxylate
CID 75357945
3-[3-(2-methoxypropyl)phenyl]-1H-pyrazole-5-carboxylic acid
CID 115111283
3-[4-(1,2-dihydroxy-4-methoxy-4-oxobutyl)phenyl]-1H-pyrazole-5-carboxylic acid
CID 171896606
3-[4-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxylic acid
CID 117463545
1-[3-[4-(hydroxymethyl)phenyl]-1H-pyrazol-5-yl]ethanone
CID 59151491
3-(2H-benzotriazol-5-yl)-1H-pyrazole-5-carboxylic acid
CID 117329834
3-[4-(4-chlorophenoxy)phenyl]-1H-pyrazole-5-carboxylic acid
CID 131955014
N-[(E)-benzylideneamino]-3-[4-(2-methylpropyl)phenyl]-1H-pyrazole-5-carboxamide
CID 6863551
3-(3-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117310670

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-hydroxypropyl)phenyl]-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-[4-(2-hydroxypropyl)phenyl]-1H-pyrazole-5-carboxylic acid (CID 117367670) is 3-[4-(2-hydroxypropyl)phenyl]-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-[4-(2-hydroxypropyl)phenyl]-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-[4-(2-hydroxypropyl)phenyl]-1H-pyrazole-5-carboxylic acid is CC(O)Cc1ccc(-c2cc(C(=O)O)[nH]n2)cc1.
What is the InChIKey of 3-[4-(2-hydroxypropyl)phenyl]-1H-pyrazole-5-carboxylic acid?
The InChIKey is YDPLESKLXXOTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-8(16)6-9-2-4-10(5-3-9)11-7-12(13(17)18)15-14-11/h2-5,7-8,16H,6H2,1H3,(H,14,15)(H,17,18).
What are the key properties of 3-[4-(2-hydroxypropyl)phenyl]-1H-pyrazole-5-carboxylic acid?
3-[4-(2-hydroxypropyl)phenyl]-1H-pyrazole-5-carboxylic acid has a molecular weight of 246.27 g/mol, XLogP of 1.70, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-hydroxypropyl)phenyl]-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 117367670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).