N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-3-phenylpropanamide

C18H16ClN3O — CID 10969426

IUPACN-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1cc(-c2ccc(Cl)cc2)[nH]n1
InChIInChI=1S/C18H16ClN3O/c19-15-9-7-14(8-10-15)16-12-17(22-21-16)20-18(23)11-6-13-4-2-1-3-5-13/h1-5,7-10,12H,6,11H2,(H2,20,21,22,23)
InChIKeyUWDFFDYJBHVMFO-UHFFFAOYSA-N
MW325.80 g/mol
LogP4.30
Rot. Bonds5

About N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-3-phenylpropanamide

N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-3-phenylpropanamide (PubChem CID 10969426) has the molecular formula C18H16ClN3O and a molecular weight of 325.80 g/mol. Its IUPAC name is N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-3-phenylpropanamide
PubChem CID10969426
Molecular FormulaC18H16ClN3O
Molecular Weight325.80 g/mol
Exact Mass325.10
IUPAC NameN-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1cc(-c2ccc(Cl)cc2)[nH]n1
InChIInChI=1S/C18H16ClN3O/c19-15-9-7-14(8-10-15)16-12-17(22-21-16)20-18(23)11-6-13-4-2-1-3-5-13/h1-5,7-10,12H,6,11H2,(H2,20,21,22,23)
InChIKeyUWDFFDYJBHVMFO-UHFFFAOYSA-N
XLogP4.30
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chlorophenyl)-N-(5-pyridazin-4-yl-1H-pyrazol-3-yl)propanamide
CID 166581481
N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2-sulfanylacetamide
CID 25260346
N-(5-phenyl-1H-pyrazol-3-yl)butanamide
CID 110868179
N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2-methylbenzamide
CID 855627
N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-3-phenylpropanamide
CID 95755349
(E)-3-(4-chlorophenyl)-N-(5-phenyl-1H-pyrazol-3-yl)prop-2-enamide
CID 118731079
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-phenylpropanamide
CID 19283649
N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]benzamide
CID 140931669
2-(4-chloroanilino)-N-(5-phenyl-1H-pyrazol-3-yl)-1,3-thiazole-4-carboxamide
CID 137372065
N-[(1R)-1-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]ethyl]-3-phenylpropanamide
CID 7451536
4-N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-1-N-phenylbenzene-1,4-diamine
CID 139405714
5-(4-acetyl-1,4-diazepan-1-yl)-N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pentanamide
CID 59174008

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-3-phenylpropanamide?
The IUPAC name of N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-3-phenylpropanamide (CID 10969426) is N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-3-phenylpropanamide?
The canonical SMILES for N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-3-phenylpropanamide is O=C(CCc1ccccc1)Nc1cc(-c2ccc(Cl)cc2)[nH]n1.
What is the InChIKey of N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-3-phenylpropanamide?
The InChIKey is UWDFFDYJBHVMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O/c19-15-9-7-14(8-10-15)16-12-17(22-21-16)20-18(23)11-6-13-4-2-1-3-5-13/h1-5,7-10,12H,6,11H2,(H2,20,21,22,23).
What are the key properties of N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-3-phenylpropanamide?
N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-3-phenylpropanamide has a molecular weight of 325.80 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-3-phenylpropanamide is sourced from PubChem (CID 10969426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).