2-(3-phenyl-1H-pyrazol-5-yl)propanoic acid

C12H12N2O2 — CID 105469690

IUPAC2-(3-phenyl-1H-pyrazol-5-yl)propanoic acid
SMILESCC(C(=O)O)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C12H12N2O2/c1-8(12(15)16)10-7-11(14-13-10)9-5-3-2-4-6-9/h2-8H,1H3,(H,13,14)(H,15,16)
InChIKeyLDDOBABXRRQUDN-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.26
Rot. Bonds3

About 2-(3-phenyl-1H-pyrazol-5-yl)propanoic acid

2-(3-phenyl-1H-pyrazol-5-yl)propanoic acid (PubChem CID 105469690) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-(3-phenyl-1H-pyrazol-5-yl)propanoic acid.

Molecular Properties

Compound Name2-(3-phenyl-1H-pyrazol-5-yl)propanoic acid
PubChem CID105469690
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name2-(3-phenyl-1H-pyrazol-5-yl)propanoic acid
SMILESCC(C(=O)O)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C12H12N2O2/c1-8(12(15)16)10-7-11(14-13-10)9-5-3-2-4-6-9/h2-8H,1H3,(H,13,14)(H,15,16)
InChIKeyLDDOBABXRRQUDN-UHFFFAOYSA-N
XLogP2.26
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propanoic acid
CID 105494091
bis(3-phenyl-1H-pyrazol-5-yl)methanone
CID 174669259
(2S,3R)-3-hydroxy-2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]butanoic acid
CID 104964742
3-(4-methoxyphenyl)-N-methyl-N-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 70770928
N,6-dimethyl-N-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 131902441
methyl 3-phenyl-1H-pyrazole-5-carboxylate
CID 644585
4-[5-[1-(methylamino)ethyl]-1H-pyrazol-3-yl]phenol
CID 136758050
3-(5-propan-2-yl-1H-pyrazol-3-yl)phenol
CID 118099844
(2S,3S)-3-methyl-2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]pentanoic acid
CID 119194391
1-[4-(3-phenyl-1H-pyrazol-5-yl)phenyl]ethanone
CID 155037922
N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 110205416
1-(2-amino-2-oxoethyl)-N-methyl-N-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]piperidine-4-carboxamide
CID 70719081

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenyl-1H-pyrazol-5-yl)propanoic acid?
The IUPAC name of 2-(3-phenyl-1H-pyrazol-5-yl)propanoic acid (CID 105469690) is 2-(3-phenyl-1H-pyrazol-5-yl)propanoic acid.
What is the SMILES notation for 2-(3-phenyl-1H-pyrazol-5-yl)propanoic acid?
The canonical SMILES for 2-(3-phenyl-1H-pyrazol-5-yl)propanoic acid is CC(C(=O)O)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of 2-(3-phenyl-1H-pyrazol-5-yl)propanoic acid?
The InChIKey is LDDOBABXRRQUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-8(12(15)16)10-7-11(14-13-10)9-5-3-2-4-6-9/h2-8H,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-(3-phenyl-1H-pyrazol-5-yl)propanoic acid?
2-(3-phenyl-1H-pyrazol-5-yl)propanoic acid has a molecular weight of 216.24 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenyl-1H-pyrazol-5-yl)propanoic acid is sourced from PubChem (CID 105469690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).