2-(1-methyl-5-phenylpyrazol-4-yl)acetic acid

C12H12N2O2 — CID 105469697

IUPAC2-(1-methyl-5-phenylpyrazol-4-yl)acetic acid
SMILESCn1ncc(CC(=O)O)c1-c1ccccc1
InChIInChI=1S/C12H12N2O2/c1-14-12(9-5-3-2-4-6-9)10(8-13-14)7-11(15)16/h2-6,8H,7H2,1H3,(H,15,16)
InChIKeyMDFQRKPLIVYXQN-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.71
Rot. Bonds3

About 2-(1-methyl-5-phenylpyrazol-4-yl)acetic acid

2-(1-methyl-5-phenylpyrazol-4-yl)acetic acid (PubChem CID 105469697) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-(1-methyl-5-phenylpyrazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(1-methyl-5-phenylpyrazol-4-yl)acetic acid
PubChem CID105469697
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name2-(1-methyl-5-phenylpyrazol-4-yl)acetic acid
SMILESCn1ncc(CC(=O)O)c1-c1ccccc1
InChIInChI=1S/C12H12N2O2/c1-14-12(9-5-3-2-4-6-9)10(8-13-14)7-11(15)16/h2-6,8H,7H2,1H3,(H,15,16)
InChIKeyMDFQRKPLIVYXQN-UHFFFAOYSA-N
XLogP1.71
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(4-amino-1-methylpyrazol-5-yl)phenyl]acetic acid
CID 165477117
(1-methyl-5-phenylpyrazol-4-yl)boronic acid
CID 91800306
3-[methyl-(1-methyl-5-phenylpyrazole-4-carbonyl)amino]propanoic acid
CID 120525069
N-(1-methyl-5-phenylpyrazol-4-yl)butanamide
CID 110664720
2-[4-(4-hydroxyphenyl)-1-methylpyrazol-5-yl]acetic acid
CID 105423482
1-methyl-5-phenylpyrazole-4-sulfonyl chloride
CID 168798150
2,2-dimethyl-3-[(1-methyl-5-phenylpyrazole-4-carbonyl)amino]propanoic acid
CID 120528001
[5-(3-bromophenyl)-1-methylpyrazol-4-yl]methanol
CID 18613291
4-[1-methyl-4-(methylaminomethyl)pyrazol-5-yl]phenol
CID 136758061
2-methoxy-N-(1-methyl-5-phenylpyrazol-4-yl)benzamide
CID 110664738
1-methyl-5-phenylpyrazole-4-carbonitrile
CID 139271334
2-(5-phenyl-1-propyltriazol-4-yl)acetic acid
CID 82205190

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-5-phenylpyrazol-4-yl)acetic acid?
The IUPAC name of 2-(1-methyl-5-phenylpyrazol-4-yl)acetic acid (CID 105469697) is 2-(1-methyl-5-phenylpyrazol-4-yl)acetic acid.
What is the SMILES notation for 2-(1-methyl-5-phenylpyrazol-4-yl)acetic acid?
The canonical SMILES for 2-(1-methyl-5-phenylpyrazol-4-yl)acetic acid is Cn1ncc(CC(=O)O)c1-c1ccccc1.
What is the InChIKey of 2-(1-methyl-5-phenylpyrazol-4-yl)acetic acid?
The InChIKey is MDFQRKPLIVYXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-14-12(9-5-3-2-4-6-9)10(8-13-14)7-11(15)16/h2-6,8H,7H2,1H3,(H,15,16).
What are the key properties of 2-(1-methyl-5-phenylpyrazol-4-yl)acetic acid?
2-(1-methyl-5-phenylpyrazol-4-yl)acetic acid has a molecular weight of 216.24 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-5-phenylpyrazol-4-yl)acetic acid is sourced from PubChem (CID 105469697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).