2-[(1-methylpyrazol-3-yl)amino]-2-phenylacetic acid

C12H13N3O2 — CID 103256803

IUPAC2-[(1-methylpyrazol-3-yl)amino]-2-phenylacetic acid
SMILESCn1ccc(NC(C(=O)O)c2ccccc2)n1
InChIInChI=1S/C12H13N3O2/c1-15-8-7-10(14-15)13-11(12(16)17)9-5-3-2-4-6-9/h2-8,11H,1H3,(H,13,14)(H,16,17)
InChIKeyFZPOVQVHDFZAOH-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.66
Rot. Bonds4

About 2-[(1-methylpyrazol-3-yl)amino]-2-phenylacetic acid

2-[(1-methylpyrazol-3-yl)amino]-2-phenylacetic acid (PubChem CID 103256803) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-[(1-methylpyrazol-3-yl)amino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[(1-methylpyrazol-3-yl)amino]-2-phenylacetic acid
PubChem CID103256803
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name2-[(1-methylpyrazol-3-yl)amino]-2-phenylacetic acid
SMILESCn1ccc(NC(C(=O)O)c2ccccc2)n1
InChIInChI=1S/C12H13N3O2/c1-15-8-7-10(14-15)13-11(12(16)17)9-5-3-2-4-6-9/h2-8,11H,1H3,(H,13,14)(H,16,17)
InChIKeyFZPOVQVHDFZAOH-UHFFFAOYSA-N
XLogP1.66
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(1-methylpyrazol-3-yl)carbamoylamino]-2-phenylacetic acid
CID 61206380
N-cyclopropyl-2-[(1-methylpyrazol-3-yl)amino]-2-phenylacetamide
CID 42897384
N-[(4-fluorophenyl)-phenylmethyl]-1-methylpyrazol-3-amine
CID 60809806
N-[furan-2-yl(phenyl)methyl]-1-methylpyrazol-3-amine
CID 60810139
(2R)-2-anilino-2-phenylacetic acid
CID 6999890
methyl 2-[(1-methylpyrazol-3-yl)amino]propanoate
CID 66174339
1-(3-hydroxy-3-phenylpropyl)-3-(1-methylpyrazol-3-yl)urea
CID 111578993
N-[(1R)-3-[(1-methylpyrazol-3-yl)amino]-3-oxo-1-phenylpropyl]benzamide
CID 31844726
methyl 2-methyl-4-[(1-methylpyrazol-3-yl)amino]pentanoate
CID 104646481
2-phenyl-2-[(6-propan-2-ylpyrimidin-4-yl)amino]acetic acid
CID 62108953
(2R)-2-[(1-methylpyrazol-3-yl)carbamoylamino]-3-phenylpropanoic acid
CID 104902353
(2R)-2-phenyl-2-[(1-propan-2-ylpyrazole-3-carbonyl)amino]acetic acid
CID 119367836

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpyrazol-3-yl)amino]-2-phenylacetic acid?
The IUPAC name of 2-[(1-methylpyrazol-3-yl)amino]-2-phenylacetic acid (CID 103256803) is 2-[(1-methylpyrazol-3-yl)amino]-2-phenylacetic acid.
What is the SMILES notation for 2-[(1-methylpyrazol-3-yl)amino]-2-phenylacetic acid?
The canonical SMILES for 2-[(1-methylpyrazol-3-yl)amino]-2-phenylacetic acid is Cn1ccc(NC(C(=O)O)c2ccccc2)n1.
What is the InChIKey of 2-[(1-methylpyrazol-3-yl)amino]-2-phenylacetic acid?
The InChIKey is FZPOVQVHDFZAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-15-8-7-10(14-15)13-11(12(16)17)9-5-3-2-4-6-9/h2-8,11H,1H3,(H,13,14)(H,16,17).
What are the key properties of 2-[(1-methylpyrazol-3-yl)amino]-2-phenylacetic acid?
2-[(1-methylpyrazol-3-yl)amino]-2-phenylacetic acid has a molecular weight of 231.25 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpyrazol-3-yl)amino]-2-phenylacetic acid is sourced from PubChem (CID 103256803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).