2-[(5-chloro-1-methyl-3-phenylpyrazole-4-carbonyl)amino]-2-phenylacetic acid

C19H16ClN3O3 — CID 3715136

IUPAC2-[(5-chloro-1-methyl-3-phenylpyrazole-4-carbonyl)amino]-2-phenylacetic acid
SMILESCn1nc(-c2ccccc2)c(C(=O)NC(C(=O)O)c2ccccc2)c1Cl
InChIInChI=1S/C19H16ClN3O3/c1-23-17(20)14(15(22-23)12-8-4-2-5-9-12)18(24)21-16(19(25)26)13-10-6-3-7-11-13/h2-11,16H,1H3,(H,21,24)(H,25,26)
InChIKeyYMJMPVARIFSETB-UHFFFAOYSA-N
MW369.81 g/mol
LogP3.30
Rot. Bonds5

About 2-[(5-chloro-1-methyl-3-phenylpyrazole-4-carbonyl)amino]-2-phenylacetic acid

2-[(5-chloro-1-methyl-3-phenylpyrazole-4-carbonyl)amino]-2-phenylacetic acid (PubChem CID 3715136) has the molecular formula C19H16ClN3O3 and a molecular weight of 369.81 g/mol. Its IUPAC name is 2-[(5-chloro-1-methyl-3-phenylpyrazole-4-carbonyl)amino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[(5-chloro-1-methyl-3-phenylpyrazole-4-carbonyl)amino]-2-phenylacetic acid
PubChem CID3715136
Molecular FormulaC19H16ClN3O3
Molecular Weight369.81 g/mol
Exact Mass369.09
IUPAC Name2-[(5-chloro-1-methyl-3-phenylpyrazole-4-carbonyl)amino]-2-phenylacetic acid
SMILESCn1nc(-c2ccccc2)c(C(=O)NC(C(=O)O)c2ccccc2)c1Cl
InChIInChI=1S/C19H16ClN3O3/c1-23-17(20)14(15(22-23)12-8-4-2-5-9-12)18(24)21-16(19(25)26)13-10-6-3-7-11-13/h2-11,16H,1H3,(H,21,24)(H,25,26)
InChIKeyYMJMPVARIFSETB-UHFFFAOYSA-N
XLogP3.30
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.81
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[[(4-Chloro-5-ethyl-2-methylpyrazole-3-carbonyl)amino]methyl]phenyl]-2-methylpropanoic acid
CID 139598008
(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[5-(3,5-dimethylpyrazol-1-yl)-2-methyl-3-oxopyridazin-4-yl]phenyl]propanoic acid
CID 44454515
3-[[4-[1-[3-(3,5-Dichlorophenyl)-4-methyl-5-phenylpyrazol-1-yl]ethyl]benzoyl]amino]propanoic acid
CID 141465320
3-[[4-[1-[3-(3,5-Dichlorophenyl)-4-methyl-5-(4-methylphenyl)pyrazol-1-yl]ethyl]benzoyl]amino]propanoic acid
CID 141465346
2-[1-[[4-[(4-Chlorobenzoyl)amino]phenyl]methyl]-5-propan-2-yl-3-propylpyrazol-4-yl]acetic acid
CID 58071768
methyl 2-{[(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)carbonyl]amino}-2-phenylacetate
CID 3812360
2-[4-[1-[(1-Methyl-3-phenylpyrazole-5-carbonyl)amino]ethyl]phenyl]acetic acid
CID 155559154
2-{[(5-chloro-1-methyl-3-phenyl-1H-pyrazol-4-yl)carbonyl]amino}acetic acid
CID 3638999
3-(4-Tert-butylphenyl)-3-[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]propanoic acid
CID 118727471
2-{[(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)carbonyl]amino}-2-phenylacetic acid
CID 3782417
N-[1-(4-tert-butylphenyl)-2-hydroxyethyl]-4-chloro-3-ethyl-1-methylpyrazole-5-carboxamide
CID 56964967
4-chloro-N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 56965075

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-1-methyl-3-phenylpyrazole-4-carbonyl)amino]-2-phenylacetic acid?
The IUPAC name of 2-[(5-chloro-1-methyl-3-phenylpyrazole-4-carbonyl)amino]-2-phenylacetic acid (CID 3715136) is 2-[(5-chloro-1-methyl-3-phenylpyrazole-4-carbonyl)amino]-2-phenylacetic acid.
What is the SMILES notation for 2-[(5-chloro-1-methyl-3-phenylpyrazole-4-carbonyl)amino]-2-phenylacetic acid?
The canonical SMILES for 2-[(5-chloro-1-methyl-3-phenylpyrazole-4-carbonyl)amino]-2-phenylacetic acid is Cn1nc(-c2ccccc2)c(C(=O)NC(C(=O)O)c2ccccc2)c1Cl.
What is the InChIKey of 2-[(5-chloro-1-methyl-3-phenylpyrazole-4-carbonyl)amino]-2-phenylacetic acid?
The InChIKey is YMJMPVARIFSETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O3/c1-23-17(20)14(15(22-23)12-8-4-2-5-9-12)18(24)21-16(19(25)26)13-10-6-3-7-11-13/h2-11,16H,1H3,(H,21,24)(H,25,26).
What are the key properties of 2-[(5-chloro-1-methyl-3-phenylpyrazole-4-carbonyl)amino]-2-phenylacetic acid?
2-[(5-chloro-1-methyl-3-phenylpyrazole-4-carbonyl)amino]-2-phenylacetic acid has a molecular weight of 369.81 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-1-methyl-3-phenylpyrazole-4-carbonyl)amino]-2-phenylacetic acid is sourced from PubChem (CID 3715136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).