(2R)-2-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-3-methylbutanoic acid

C15H16FN3O3 — CID 119369536

IUPAC(2R)-2-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-3-methylbutanoic acid
SMILESCC(C)[C@@H](NC(=O)c1cc(-c2ccc(F)cc2)n[nH]1)C(=O)O
InChIInChI=1S/C15H16FN3O3/c1-8(2)13(15(21)22)17-14(20)12-7-11(18-19-12)9-3-5-10(16)6-4-9/h3-8,13H,1-2H3,(H,17,20)(H,18,19)(H,21,22)/t13-/m1/s1
InChIKeyCTPFOHQIZMCQOF-CYBMUJFWSA-N
MW305.31 g/mol
LogP2.05
Rot. Bonds5

About (2R)-2-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-3-methylbutanoic acid

(2R)-2-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-3-methylbutanoic acid (PubChem CID 119369536) has the molecular formula C15H16FN3O3 and a molecular weight of 305.31 g/mol. Its IUPAC name is (2R)-2-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-3-methylbutanoic acid
PubChem CID119369536
Molecular FormulaC15H16FN3O3
Molecular Weight305.31 g/mol
Exact Mass305.12
IUPAC Name(2R)-2-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-3-methylbutanoic acid
SMILESCC(C)[C@@H](NC(=O)c1cc(-c2ccc(F)cc2)n[nH]1)C(=O)O
InChIInChI=1S/C15H16FN3O3/c1-8(2)13(15(21)22)17-14(20)12-7-11(18-19-12)9-3-5-10(16)6-4-9/h3-8,13H,1-2H3,(H,17,20)(H,18,19)(H,21,22)/t13-/m1/s1
InChIKeyCTPFOHQIZMCQOF-CYBMUJFWSA-N
XLogP2.05
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-3-methylbutanoic acid with MolForge

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Related Compounds

3-methyl-2-[[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]amino]butanoic acid
CID 119170236
(2S,3R)-3-hydroxy-2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]butanoic acid
CID 104964742
(2S,3S)-3-methyl-2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]pentanoic acid
CID 119194391
methyl 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate
CID 718672
(2S)-2-[[5-(4-fluorophenyl)furan-2-carbonyl]amino]-3-methylbutanoic acid
CID 94317037
N-propan-2-yl-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 53014349
N-(3-aminobutyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 119494892
N-(3-amino-2-methylpropyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide;hydrochloride
CID 119997336
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 19514501
ethyl (2R)-2-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-3-sulfanylpropanoate
CID 19514502
(2R)-3-methyl-2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]butanoic acid
CID 79011182
N-(3,5-difluorophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 45030497

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-3-methylbutanoic acid?
The IUPAC name of (2R)-2-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-3-methylbutanoic acid (CID 119369536) is (2R)-2-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-3-methylbutanoic acid.
What is the SMILES notation for (2R)-2-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-3-methylbutanoic acid?
The canonical SMILES for (2R)-2-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-3-methylbutanoic acid is CC(C)[C@@H](NC(=O)c1cc(-c2ccc(F)cc2)n[nH]1)C(=O)O.
What is the InChIKey of (2R)-2-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-3-methylbutanoic acid?
The InChIKey is CTPFOHQIZMCQOF-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H16FN3O3/c1-8(2)13(15(21)22)17-14(20)12-7-11(18-19-12)9-3-5-10(16)6-4-9/h3-8,13H,1-2H3,(H,17,20)(H,18,19)(H,21,22)/t13-/m1/s1.
What are the key properties of (2R)-2-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-3-methylbutanoic acid?
(2R)-2-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-3-methylbutanoic acid has a molecular weight of 305.31 g/mol, XLogP of 2.05, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-3-methylbutanoic acid is sourced from PubChem (CID 119369536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).