4-benzyl-5-(4-chlorophenyl)-N-phenyl-3,4-dihydropyrazole-2-carboxamide

C23H20ClN3O — CID 71458354

IUPAC4-benzyl-5-(4-chlorophenyl)-N-phenyl-3,4-dihydropyrazole-2-carboxamide
SMILESO=C(Nc1ccccc1)N1CC(Cc2ccccc2)C(c2ccc(Cl)cc2)=N1
InChIInChI=1S/C23H20ClN3O/c24-20-13-11-18(12-14-20)22-19(15-17-7-3-1-4-8-17)16-27(26-22)23(28)25-21-9-5-2-6-10-21/h1-14,19H,15-16H2,(H,25,28)
InChIKeyNFCGWQZELQIMSX-UHFFFAOYSA-N
MW389.89 g/mol
LogP5.45
Rot. Bonds4

About 4-benzyl-5-(4-chlorophenyl)-N-phenyl-3,4-dihydropyrazole-2-carboxamide

4-benzyl-5-(4-chlorophenyl)-N-phenyl-3,4-dihydropyrazole-2-carboxamide (PubChem CID 71458354) has the molecular formula C23H20ClN3O and a molecular weight of 389.89 g/mol. Its IUPAC name is 4-benzyl-5-(4-chlorophenyl)-N-phenyl-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound Name4-benzyl-5-(4-chlorophenyl)-N-phenyl-3,4-dihydropyrazole-2-carboxamide
PubChem CID71458354
Molecular FormulaC23H20ClN3O
Molecular Weight389.89 g/mol
Exact Mass389.13
IUPAC Name4-benzyl-5-(4-chlorophenyl)-N-phenyl-3,4-dihydropyrazole-2-carboxamide
SMILESO=C(Nc1ccccc1)N1CC(Cc2ccccc2)C(c2ccc(Cl)cc2)=N1
InChIInChI=1S/C23H20ClN3O/c24-20-13-11-18(12-14-20)22-19(15-17-7-3-1-4-8-17)16-27(26-22)23(28)25-21-9-5-2-6-10-21/h1-14,19H,15-16H2,(H,25,28)
InChIKeyNFCGWQZELQIMSX-UHFFFAOYSA-N
XLogP5.45
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.89
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-chloro-3-methylphenyl)-4-[(4-methylphenyl)methyl]-N-phenyl-3,4-dihydropyrazole-2-carboxamide
CID 71451171
N,5-bis(4-chlorophenyl)-4-[2-(diethylamino)ethyl]-3,4-dihydropyrazole-2-carboxamide
CID 14278894
(4S)-5-(4-chlorophenyl)-4-phenyl-N-(4-phenylsulfanylphenyl)-3,4-dihydropyrazole-2-carboxamide
CID 92979239
N-(4-chlorophenyl)-5-(3,4-dichlorophenyl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide
CID 19852175
5-(4-chlorophenyl)-N-(4-cyanophenyl)-4-(2-piperidin-1-ylethyl)-3,4-dihydropyrazole-2-carboxamide
CID 14278891
ethyl 5-(4-chlorophenyl)-2-[(4-chlorophenyl)carbamoyl]-3,4-dihydropyrazole-4-carboxylate
CID 19852683
N-(4-benzoylphenyl)-5-(4-chlorophenyl)-4-(4-fluorophenyl)-3,4-dihydropyrazole-2-carboxamide
CID 171984919
5-(4-chlorophenyl)-4-methyl-N-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carboxamide
CID 18980998
5-(4-chlorophenyl)-4-[2-(diethylamino)ethyl]-N-(4-propan-2-yloxyphenyl)-3,4-dihydropyrazole-2-carboxamide
CID 14278896
5-(4-chlorophenyl)-N-[4-(difluoromethoxy)phenyl]-4-phenyl-3,4-dihydropyrazole-2-carboxamide;N-(4-chlorophenyl)-4-methyl-5-phenyl-3,4-dihydropyrazole-2-carboxamide
CID 161046518
5-[4-(difluoromethoxy)phenyl]-N,4-diphenyl-3,4-dihydropyrazole-2-carboxamide
CID 13191329
5-(4-anilinophenyl)-N-(4-fluorophenyl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide
CID 14256918

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-5-(4-chlorophenyl)-N-phenyl-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of 4-benzyl-5-(4-chlorophenyl)-N-phenyl-3,4-dihydropyrazole-2-carboxamide (CID 71458354) is 4-benzyl-5-(4-chlorophenyl)-N-phenyl-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for 4-benzyl-5-(4-chlorophenyl)-N-phenyl-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for 4-benzyl-5-(4-chlorophenyl)-N-phenyl-3,4-dihydropyrazole-2-carboxamide is O=C(Nc1ccccc1)N1CC(Cc2ccccc2)C(c2ccc(Cl)cc2)=N1.
What is the InChIKey of 4-benzyl-5-(4-chlorophenyl)-N-phenyl-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is NFCGWQZELQIMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O/c24-20-13-11-18(12-14-20)22-19(15-17-7-3-1-4-8-17)16-27(26-22)23(28)25-21-9-5-2-6-10-21/h1-14,19H,15-16H2,(H,25,28).
What are the key properties of 4-benzyl-5-(4-chlorophenyl)-N-phenyl-3,4-dihydropyrazole-2-carboxamide?
4-benzyl-5-(4-chlorophenyl)-N-phenyl-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 389.89 g/mol, XLogP of 5.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-5-(4-chlorophenyl)-N-phenyl-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 71458354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).