(2R)-2-phenyl-N-(1-phenylpyrazol-3-yl)butanamide

C19H19N3O — CID 134596218

IUPAC(2R)-2-phenyl-N-(1-phenylpyrazol-3-yl)butanamide
SMILESCC[C@@H](C(=O)Nc1ccn(-c2ccccc2)n1)c1ccccc1
InChIInChI=1S/C19H19N3O/c1-2-17(15-9-5-3-6-10-15)19(23)20-18-13-14-22(21-18)16-11-7-4-8-12-16/h3-14,17H,2H2,1H3,(H,20,21,23)/t17-/m1/s1
InChIKeySJNWHFJTPNZDHE-QGZVFWFLSA-N
MW305.38 g/mol
LogP4.00
Rot. Bonds5

About (2R)-2-phenyl-N-(1-phenylpyrazol-3-yl)butanamide

(2R)-2-phenyl-N-(1-phenylpyrazol-3-yl)butanamide (PubChem CID 134596218) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is (2R)-2-phenyl-N-(1-phenylpyrazol-3-yl)butanamide.

Molecular Properties

Compound Name(2R)-2-phenyl-N-(1-phenylpyrazol-3-yl)butanamide
PubChem CID134596218
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name(2R)-2-phenyl-N-(1-phenylpyrazol-3-yl)butanamide
SMILESCC[C@@H](C(=O)Nc1ccn(-c2ccccc2)n1)c1ccccc1
InChIInChI=1S/C19H19N3O/c1-2-17(15-9-5-3-6-10-15)19(23)20-18-13-14-22(21-18)16-11-7-4-8-12-16/h3-14,17H,2H2,1H3,(H,20,21,23)/t17-/m1/s1
InChIKeySJNWHFJTPNZDHE-QGZVFWFLSA-N
XLogP4.00
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

19-(cyclopropylamino)-4,6,7,15-tetrahydro-5H-16,1-(azenometheno)-10,14-(metheno)pyrazolo[4,3-o][1,3,9]triazacyclohexadecin-8(9H)-one
CID 135566411
N-(1-methyl-3-phenylpyrazol-5-yl)benzamide
CID 2814962
N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[4-(dimethylamino)phenyl]acetamide
CID 118560409
2-[4-(3,3-difluorocyclobutyl)phenyl]-N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]acetamide
CID 118560709
5-Methyl-2-[4-oxo-4-[(1-phenylpyrazol-3-yl)amino]butan-2-yl]hexanoic acid
CID 3540028
2-[3-Oxo-3-[(1-phenylpyrazol-3-yl)amino]propyl]hexanoic acid
CID 3756553
N-(1-Phenyl-1H-pyrazol-3-yl)acetamide
CID 594242
N-(4-cyano-1-phenylpyrazol-5-yl)(2-fluorophenyl)carboxamide
CID 722799
4-methyl-N-(1-methyl-1H-pyrazol-3-yl)benzamide
CID 4865337
2-(2-Dodecyl-2H-tetrazol-5-yl)-2-phenyl-N-pyridin-2-yl-acetamide
CID 10114711
2-(2-Dodecyl-2H-tetrazol-5-yl)-N-(3-methyl-pyridin-2-yl)-2-phenyl-acetamide
CID 10298395
5-(4-Fluorophenyl)-3-phenylacetylamino-4-(4-pyridyl)pyrazole
CID 15513074

Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenyl-N-(1-phenylpyrazol-3-yl)butanamide?
The IUPAC name of (2R)-2-phenyl-N-(1-phenylpyrazol-3-yl)butanamide (CID 134596218) is (2R)-2-phenyl-N-(1-phenylpyrazol-3-yl)butanamide.
What is the SMILES notation for (2R)-2-phenyl-N-(1-phenylpyrazol-3-yl)butanamide?
The canonical SMILES for (2R)-2-phenyl-N-(1-phenylpyrazol-3-yl)butanamide is CC[C@@H](C(=O)Nc1ccn(-c2ccccc2)n1)c1ccccc1.
What is the InChIKey of (2R)-2-phenyl-N-(1-phenylpyrazol-3-yl)butanamide?
The InChIKey is SJNWHFJTPNZDHE-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H19N3O/c1-2-17(15-9-5-3-6-10-15)19(23)20-18-13-14-22(21-18)16-11-7-4-8-12-16/h3-14,17H,2H2,1H3,(H,20,21,23)/t17-/m1/s1.
What are the key properties of (2R)-2-phenyl-N-(1-phenylpyrazol-3-yl)butanamide?
(2R)-2-phenyl-N-(1-phenylpyrazol-3-yl)butanamide has a molecular weight of 305.38 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenyl-N-(1-phenylpyrazol-3-yl)butanamide is sourced from PubChem (CID 134596218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).