3-phenyl-N-[1-(2-phenylethyl)pyrazol-4-yl]propanamide

C20H21N3O — CID 95744744

IUPAC3-phenyl-N-[1-(2-phenylethyl)pyrazol-4-yl]propanamide
SMILESO=C(CCc1ccccc1)Nc1cnn(CCc2ccccc2)c1
InChIInChI=1S/C20H21N3O/c24-20(12-11-17-7-3-1-4-8-17)22-19-15-21-23(16-19)14-13-18-9-5-2-6-10-18/h1-10,15-16H,11-14H2,(H,22,24)
InChIKeyWLWFRRFGMGOCEL-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.70
Rot. Bonds7

About 3-phenyl-N-[1-(2-phenylethyl)pyrazol-4-yl]propanamide

3-phenyl-N-[1-(2-phenylethyl)pyrazol-4-yl]propanamide (PubChem CID 95744744) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 3-phenyl-N-[1-(2-phenylethyl)pyrazol-4-yl]propanamide.

Molecular Properties

Compound Name3-phenyl-N-[1-(2-phenylethyl)pyrazol-4-yl]propanamide
PubChem CID95744744
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name3-phenyl-N-[1-(2-phenylethyl)pyrazol-4-yl]propanamide
SMILESO=C(CCc1ccccc1)Nc1cnn(CCc2ccccc2)c1
InChIInChI=1S/C20H21N3O/c24-20(12-11-17-7-3-1-4-8-17)22-19-15-21-23(16-19)14-13-18-9-5-2-6-10-18/h1-10,15-16H,11-14H2,(H,22,24)
InChIKeyWLWFRRFGMGOCEL-UHFFFAOYSA-N
XLogP3.70
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-phenylpropanamide
CID 95749422
N-(1-benzylpyrazol-4-yl)-3-(4-chlorophenyl)propanamide
CID 35531704
2-(4-methoxyphenyl)-N-[1-(2-phenylethyl)pyrazol-4-yl]acetamide
CID 95744739
2-(4-methylphenoxy)-N-[1-(2-phenylethyl)pyrazol-4-yl]acetamide
CID 95744497
2-iodo-N-[1-(2-phenylethyl)pyrazol-4-yl]benzamide
CID 95744832
N-[1-(2-phenylethyl)pyrazol-4-yl]cyclopentanecarboxamide
CID 95744788
N-(1-benzylpyrazol-4-yl)-3-chloropropanamide
CID 54867188
N-(1-benzylpyrazol-4-yl)-4-(2-phenylethoxy)butanamide
CID 55947082
N-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrazol-4-yl]-3-phenylpropanamide
CID 90622617
N-[1-(2-phenylethyl)pyrazol-4-yl]-N'-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)butanediamide
CID 95744584
2-[4-[3-(2-hydroxyphenyl)propanoylamino]pyrazol-1-yl]acetic acid
CID 61017720
4-bromo-1-methyl-N-[1-(2-phenylethyl)pyrazol-4-yl]pyrazole-3-carboxamide
CID 95744528

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[1-(2-phenylethyl)pyrazol-4-yl]propanamide?
The IUPAC name of 3-phenyl-N-[1-(2-phenylethyl)pyrazol-4-yl]propanamide (CID 95744744) is 3-phenyl-N-[1-(2-phenylethyl)pyrazol-4-yl]propanamide.
What is the SMILES notation for 3-phenyl-N-[1-(2-phenylethyl)pyrazol-4-yl]propanamide?
The canonical SMILES for 3-phenyl-N-[1-(2-phenylethyl)pyrazol-4-yl]propanamide is O=C(CCc1ccccc1)Nc1cnn(CCc2ccccc2)c1.
What is the InChIKey of 3-phenyl-N-[1-(2-phenylethyl)pyrazol-4-yl]propanamide?
The InChIKey is WLWFRRFGMGOCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c24-20(12-11-17-7-3-1-4-8-17)22-19-15-21-23(16-19)14-13-18-9-5-2-6-10-18/h1-10,15-16H,11-14H2,(H,22,24).
What are the key properties of 3-phenyl-N-[1-(2-phenylethyl)pyrazol-4-yl]propanamide?
3-phenyl-N-[1-(2-phenylethyl)pyrazol-4-yl]propanamide has a molecular weight of 319.41 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[1-(2-phenylethyl)pyrazol-4-yl]propanamide is sourced from PubChem (CID 95744744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).