(2R)-2-cyclopropyl-2-[[1-(4-fluorophenyl)-4-methylpyrazole-3-carbonyl]amino]acetic acid

C16H16FN3O3 — CID 129470152

IUPAC(2R)-2-cyclopropyl-2-[[1-(4-fluorophenyl)-4-methylpyrazole-3-carbonyl]amino]acetic acid
SMILESCc1cn(-c2ccc(F)cc2)nc1C(=O)N[C@@H](C(=O)O)C1CC1
InChIInChI=1S/C16H16FN3O3/c1-9-8-20(12-6-4-11(17)5-7-12)19-13(9)15(21)18-14(16(22)23)10-2-3-10/h4-8,10,14H,2-3H2,1H3,(H,18,21)(H,22,23)/t14-/m1/s1
InChIKeyYNKCZVOTCZOLSI-CQSZACIVSA-N
MW317.32 g/mol
LogP1.91
Rot. Bonds5

About (2R)-2-cyclopropyl-2-[[1-(4-fluorophenyl)-4-methylpyrazole-3-carbonyl]amino]acetic acid

(2R)-2-cyclopropyl-2-[[1-(4-fluorophenyl)-4-methylpyrazole-3-carbonyl]amino]acetic acid (PubChem CID 129470152) has the molecular formula C16H16FN3O3 and a molecular weight of 317.32 g/mol. Its IUPAC name is (2R)-2-cyclopropyl-2-[[1-(4-fluorophenyl)-4-methylpyrazole-3-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name(2R)-2-cyclopropyl-2-[[1-(4-fluorophenyl)-4-methylpyrazole-3-carbonyl]amino]acetic acid
PubChem CID129470152
Molecular FormulaC16H16FN3O3
Molecular Weight317.32 g/mol
Exact Mass317.12
IUPAC Name(2R)-2-cyclopropyl-2-[[1-(4-fluorophenyl)-4-methylpyrazole-3-carbonyl]amino]acetic acid
SMILESCc1cn(-c2ccc(F)cc2)nc1C(=O)N[C@@H](C(=O)O)C1CC1
InChIInChI=1S/C16H16FN3O3/c1-9-8-20(12-6-4-11(17)5-7-12)19-13(9)15(21)18-14(16(22)23)10-2-3-10/h4-8,10,14H,2-3H2,1H3,(H,18,21)(H,22,23)/t14-/m1/s1
InChIKeyYNKCZVOTCZOLSI-CQSZACIVSA-N
XLogP1.91
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-2-cyclopropyl-2-[[1-(4-fluorophenyl)-4-methylpyrazole-3-carbonyl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[1-(2-chlorophenyl)-4-methylpyrazole-3-carbonyl]amino]-2-cyclopropylacetic acid
CID 120521274
(2R)-4,4,4-trifluoro-2-[[1-(4-fluorophenyl)-4-methylpyrazole-3-carbonyl]amino]butanoic acid
CID 129468244
2-cyclopropyl-2-[(3-methyl-1-phenylpyrazole-4-carbonyl)amino]acetic acid
CID 119213678
2-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]-2-(oxan-3-yl)acetic acid
CID 120547481
N-(4-chloro-5-methyl-1H-pyrazol-3-yl)-1-(4-fluorophenyl)-4-methylpyrazole-3-carboxamide
CID 119052065
2-cyclopropyl-2-[[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]amino]acetic acid
CID 119213700
2-cyclopropyl-2-[[1-(2-fluorophenyl)pyrazole-3-carbonyl]amino]acetic acid
CID 119213154
2-cyclopropyl-2-[(2-iodo-3-methylbenzoyl)amino]acetic acid
CID 113263253
2-cyclopropyl-2-[(4-methylbenzoyl)amino]acetic acid
CID 55108281
2-cyclopropyl-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]acetic acid
CID 62697253
2-cyclopropyl-2-[[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]acetic acid
CID 119214072
2-cyclopropyl-2-[[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]amino]acetic acid
CID 120521108

Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyclopropyl-2-[[1-(4-fluorophenyl)-4-methylpyrazole-3-carbonyl]amino]acetic acid?
The IUPAC name of (2R)-2-cyclopropyl-2-[[1-(4-fluorophenyl)-4-methylpyrazole-3-carbonyl]amino]acetic acid (CID 129470152) is (2R)-2-cyclopropyl-2-[[1-(4-fluorophenyl)-4-methylpyrazole-3-carbonyl]amino]acetic acid.
What is the SMILES notation for (2R)-2-cyclopropyl-2-[[1-(4-fluorophenyl)-4-methylpyrazole-3-carbonyl]amino]acetic acid?
The canonical SMILES for (2R)-2-cyclopropyl-2-[[1-(4-fluorophenyl)-4-methylpyrazole-3-carbonyl]amino]acetic acid is Cc1cn(-c2ccc(F)cc2)nc1C(=O)N[C@@H](C(=O)O)C1CC1.
What is the InChIKey of (2R)-2-cyclopropyl-2-[[1-(4-fluorophenyl)-4-methylpyrazole-3-carbonyl]amino]acetic acid?
The InChIKey is YNKCZVOTCZOLSI-CQSZACIVSA-N. The full InChI is InChI=1S/C16H16FN3O3/c1-9-8-20(12-6-4-11(17)5-7-12)19-13(9)15(21)18-14(16(22)23)10-2-3-10/h4-8,10,14H,2-3H2,1H3,(H,18,21)(H,22,23)/t14-/m1/s1.
What are the key properties of (2R)-2-cyclopropyl-2-[[1-(4-fluorophenyl)-4-methylpyrazole-3-carbonyl]amino]acetic acid?
(2R)-2-cyclopropyl-2-[[1-(4-fluorophenyl)-4-methylpyrazole-3-carbonyl]amino]acetic acid has a molecular weight of 317.32 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyclopropyl-2-[[1-(4-fluorophenyl)-4-methylpyrazole-3-carbonyl]amino]acetic acid is sourced from PubChem (CID 129470152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).