(2S)-2-phenyl-N-(1-phenylpyrazol-3-yl)propanamide

C18H17N3O — CID 134589089

IUPAC(2S)-2-phenyl-N-(1-phenylpyrazol-3-yl)propanamide
SMILESC[C@H](C(=O)Nc1ccn(-c2ccccc2)n1)c1ccccc1
InChIInChI=1S/C18H17N3O/c1-14(15-8-4-2-5-9-15)18(22)19-17-12-13-21(20-17)16-10-6-3-7-11-16/h2-14H,1H3,(H,19,20,22)/t14-/m0/s1
InChIKeyULZFXKNWGSBUBO-AWEZNQCLSA-N
MW291.35 g/mol
LogP3.61
Rot. Bonds4

About (2S)-2-phenyl-N-(1-phenylpyrazol-3-yl)propanamide

(2S)-2-phenyl-N-(1-phenylpyrazol-3-yl)propanamide (PubChem CID 134589089) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is (2S)-2-phenyl-N-(1-phenylpyrazol-3-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-phenyl-N-(1-phenylpyrazol-3-yl)propanamide
PubChem CID134589089
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name(2S)-2-phenyl-N-(1-phenylpyrazol-3-yl)propanamide
SMILESC[C@H](C(=O)Nc1ccn(-c2ccccc2)n1)c1ccccc1
InChIInChI=1S/C18H17N3O/c1-14(15-8-4-2-5-9-15)18(22)19-17-12-13-21(20-17)16-10-6-3-7-11-16/h2-14H,1H3,(H,19,20,22)/t14-/m0/s1
InChIKeyULZFXKNWGSBUBO-AWEZNQCLSA-N
XLogP3.61
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.61
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 (2S)-2-phenyl-N-(1-phenylpyrazol-3-yl)propanamide?
The IUPAC name of (2S)-2-phenyl-N-(1-phenylpyrazol-3-yl)propanamide (CID 134589089) is (2S)-2-phenyl-N-(1-phenylpyrazol-3-yl)propanamide.
What is the SMILES notation for (2S)-2-phenyl-N-(1-phenylpyrazol-3-yl)propanamide?
The canonical SMILES for (2S)-2-phenyl-N-(1-phenylpyrazol-3-yl)propanamide is C[C@H](C(=O)Nc1ccn(-c2ccccc2)n1)c1ccccc1.
What is the InChIKey of (2S)-2-phenyl-N-(1-phenylpyrazol-3-yl)propanamide?
The InChIKey is ULZFXKNWGSBUBO-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H17N3O/c1-14(15-8-4-2-5-9-15)18(22)19-17-12-13-21(20-17)16-10-6-3-7-11-16/h2-14H,1H3,(H,19,20,22)/t14-/m0/s1.
What are the key properties of (2S)-2-phenyl-N-(1-phenylpyrazol-3-yl)propanamide?
(2S)-2-phenyl-N-(1-phenylpyrazol-3-yl)propanamide has a molecular weight of 291.35 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-N-(1-phenylpyrazol-3-yl)propanamide is sourced from PubChem (CID 134589089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).