N-benzyl-3-(1,3-diphenylpyrazol-4-yl)propanamide

C25H23N3O — CID 46295888

IUPACN-benzyl-3-(1,3-diphenylpyrazol-4-yl)propanamide
SMILESO=C(CCc1cn(-c2ccccc2)nc1-c1ccccc1)NCc1ccccc1
InChIInChI=1S/C25H23N3O/c29-24(26-18-20-10-4-1-5-11-20)17-16-22-19-28(23-14-8-3-9-15-23)27-25(22)21-12-6-2-7-13-21/h1-15,19H,16-18H2,(H,26,29)
InChIKeyUZCPTRAANQBYEI-UHFFFAOYSA-N
MW381.48 g/mol
LogP4.79
Rot. Bonds7

About N-benzyl-3-(1,3-diphenylpyrazol-4-yl)propanamide

N-benzyl-3-(1,3-diphenylpyrazol-4-yl)propanamide (PubChem CID 46295888) has the molecular formula C25H23N3O and a molecular weight of 381.48 g/mol. Its IUPAC name is N-benzyl-3-(1,3-diphenylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-benzyl-3-(1,3-diphenylpyrazol-4-yl)propanamide
PubChem CID46295888
Molecular FormulaC25H23N3O
Molecular Weight381.48 g/mol
Exact Mass381.18
IUPAC NameN-benzyl-3-(1,3-diphenylpyrazol-4-yl)propanamide
SMILESO=C(CCc1cn(-c2ccccc2)nc1-c1ccccc1)NCc1ccccc1
InChIInChI=1S/C25H23N3O/c29-24(26-18-20-10-4-1-5-11-20)17-16-22-19-28(23-14-8-3-9-15-23)27-25(22)21-12-6-2-7-13-21/h1-15,19H,16-18H2,(H,26,29)
InChIKeyUZCPTRAANQBYEI-UHFFFAOYSA-N
XLogP4.79
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-3-[1-methyl-3-(4-methylphenyl)pyrazol-4-yl]propanamide
CID 53033046
5-(carbamoylamino)-N-[(1,3-diphenylpyrazol-4-yl)methyl]pentanamide
CID 31340751
3-(1,3-diphenylpyrazol-4-yl)-N-(3-piperidin-1-ylpropyl)propanamide
CID 46295921
3-[3-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-4-yl]-N-[[4-(dimethylamino)phenyl]methyl]propanamide
CID 50768301
N-[3-[benzyl(methyl)amino]propyl]-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]propanamide
CID 46295810
N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride
CID 51110159
3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 46295814
3-[3-(2,5-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 46295867
1-(azepan-1-yl)-3-(1,3-diphenylpyrazol-4-yl)propan-1-one
CID 46295896
3-[3-(2,5-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-N-[(4-ethoxyphenyl)methyl]propanamide
CID 46295877
3-[1-(4-bromophenyl)-3-phenylpyrazol-4-yl]-N-methylsulfonylpropanamide
CID 164611152
2-(4-acetylphenoxy)-N-[(1,3-diphenylpyrazol-4-yl)methyl]acetamide
CID 24606878

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(1,3-diphenylpyrazol-4-yl)propanamide?
The IUPAC name of N-benzyl-3-(1,3-diphenylpyrazol-4-yl)propanamide (CID 46295888) is N-benzyl-3-(1,3-diphenylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-benzyl-3-(1,3-diphenylpyrazol-4-yl)propanamide?
The canonical SMILES for N-benzyl-3-(1,3-diphenylpyrazol-4-yl)propanamide is O=C(CCc1cn(-c2ccccc2)nc1-c1ccccc1)NCc1ccccc1.
What is the InChIKey of N-benzyl-3-(1,3-diphenylpyrazol-4-yl)propanamide?
The InChIKey is UZCPTRAANQBYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O/c29-24(26-18-20-10-4-1-5-11-20)17-16-22-19-28(23-14-8-3-9-15-23)27-25(22)21-12-6-2-7-13-21/h1-15,19H,16-18H2,(H,26,29).
What are the key properties of N-benzyl-3-(1,3-diphenylpyrazol-4-yl)propanamide?
N-benzyl-3-(1,3-diphenylpyrazol-4-yl)propanamide has a molecular weight of 381.48 g/mol, XLogP of 4.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(1,3-diphenylpyrazol-4-yl)propanamide is sourced from PubChem (CID 46295888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).