(2R)-2-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]-2-phenylacetic acid

C19H17N3O3 — CID 97324118

IUPAC(2R)-2-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]-2-phenylacetic acid
SMILESCc1cnn(-c2ccc(C(=O)N[C@@H](C(=O)O)c3ccccc3)cc2)c1
InChIInChI=1S/C19H17N3O3/c1-13-11-20-22(12-13)16-9-7-15(8-10-16)18(23)21-17(19(24)25)14-5-3-2-4-6-14/h2-12,17H,1H3,(H,21,23)(H,24,25)/t17-/m1/s1
InChIKeyQFANDHRQHMDZHV-QGZVFWFLSA-N
MW335.36 g/mol
LogP2.74
Rot. Bonds5

About (2R)-2-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]-2-phenylacetic acid

(2R)-2-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]-2-phenylacetic acid (PubChem CID 97324118) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is (2R)-2-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2R)-2-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]-2-phenylacetic acid
PubChem CID97324118
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name(2R)-2-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]-2-phenylacetic acid
SMILESCc1cnn(-c2ccc(C(=O)N[C@@H](C(=O)O)c3ccccc3)cc2)c1
InChIInChI=1S/C19H17N3O3/c1-13-11-20-22(12-13)16-9-7-15(8-10-16)18(23)21-17(19(24)25)14-5-3-2-4-6-14/h2-12,17H,1H3,(H,21,23)(H,24,25)/t17-/m1/s1
InChIKeyQFANDHRQHMDZHV-QGZVFWFLSA-N
XLogP2.74
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-4-(4-methylpyrazol-1-yl)benzamide
CID 119586560
N-[1-[4-(carbamoylamino)phenyl]ethyl]-4-(4-methylpyrazol-1-yl)benzamide
CID 55962959
1-phenyl-N-[(1S)-1-phenylethyl]pyrazole-4-carboxamide
CID 27660239
2-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]-2-(oxan-3-yl)acetic acid
CID 120547937
2-[(4-bromobenzoyl)amino]-2-phenylacetic acid
CID 16776362
(2S)-2-[(4-hydroxy-3-methylbenzoyl)amino]-2-phenylacetic acid
CID 107675151
(2R)-2-phenyl-2-[[4-(4-propan-2-ylpiperazin-1-yl)benzoyl]amino]acetic acid
CID 119367760
(2S)-2-[(4-chloro-3-methylbenzoyl)amino]-2-phenylacetic acid
CID 103804548
(2S)-2-[(3-fluoro-4-methylbenzoyl)amino]-2-phenylacetic acid
CID 30045725
1-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]cycloheptane-1-carboxylic acid
CID 120538733
N-(2-methylpropyl)-2-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]benzamide
CID 55772351
2-[[1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]amino]-2-phenylacetic acid
CID 154863010

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]-2-phenylacetic acid?
The IUPAC name of (2R)-2-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]-2-phenylacetic acid (CID 97324118) is (2R)-2-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]-2-phenylacetic acid.
What is the SMILES notation for (2R)-2-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]-2-phenylacetic acid?
The canonical SMILES for (2R)-2-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]-2-phenylacetic acid is Cc1cnn(-c2ccc(C(=O)N[C@@H](C(=O)O)c3ccccc3)cc2)c1.
What is the InChIKey of (2R)-2-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]-2-phenylacetic acid?
The InChIKey is QFANDHRQHMDZHV-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-13-11-20-22(12-13)16-9-7-15(8-10-16)18(23)21-17(19(24)25)14-5-3-2-4-6-14/h2-12,17H,1H3,(H,21,23)(H,24,25)/t17-/m1/s1.
What are the key properties of (2R)-2-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]-2-phenylacetic acid?
(2R)-2-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]-2-phenylacetic acid has a molecular weight of 335.36 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]-2-phenylacetic acid is sourced from PubChem (CID 97324118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).