N-(2-benzoyl-4-chlorophenyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide

C24H18ClN3O3 — CID 19508722

IUPACN-(2-benzoyl-4-chlorophenyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)[nH]n2)cc1
InChIInChI=1S/C24H18ClN3O3/c1-31-18-10-7-15(8-11-18)21-14-22(28-27-21)24(30)26-20-12-9-17(25)13-19(20)23(29)16-5-3-2-4-6-16/h2-14H,1H3,(H,26,30)(H,27,28)
InChIKeyBJGOPIKBADKIEQ-UHFFFAOYSA-N
MW431.88 g/mol
LogP5.22
Rot. Bonds6

About N-(2-benzoyl-4-chlorophenyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide

N-(2-benzoyl-4-chlorophenyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 19508722) has the molecular formula C24H18ClN3O3 and a molecular weight of 431.88 g/mol. Its IUPAC name is N-(2-benzoyl-4-chlorophenyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-chlorophenyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
PubChem CID19508722
Molecular FormulaC24H18ClN3O3
Molecular Weight431.88 g/mol
Exact Mass431.10
IUPAC NameN-(2-benzoyl-4-chlorophenyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)[nH]n2)cc1
InChIInChI=1S/C24H18ClN3O3/c1-31-18-10-7-15(8-11-18)21-14-22(28-27-21)24(30)26-20-12-9-17(25)13-19(20)23(29)16-5-3-2-4-6-16/h2-14H,1H3,(H,26,30)(H,27,28)
InChIKeyBJGOPIKBADKIEQ-UHFFFAOYSA-N
XLogP5.22
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.88
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-chlorophenyl)-N-(2,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46920150
N-(2-benzoyl-4-chlorophenyl)-3,5-dichloro-4-methoxybenzamide
CID 4512455
N-(2-benzoyl-4-chlorophenyl)-7-methoxy-2-oxochromene-3-carboxamide
CID 100795259
N'-[1-(4-chlorophenyl)ethenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide
CID 2068775
N-(2-fluoro-5-methylphenyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19508782
N-[4-(4-chlorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-yl]benzamide
CID 20896243
N-(2-benzoyl-4-chlorophenyl)-2-(4-phenylphenoxy)acetamide
CID 19169901
N-(2-benzoyl-4-chlorophenyl)-3-chloro-4-methoxybenzamide
CID 2296038
methyl 2-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]benzoate
CID 45030489
N-[4-chloro-2-(4-fluorobenzoyl)phenyl]-4-fluorobenzamide
CID 67505636
N-(2-benzoyl-4-chlorophenyl)-4-ethylsulfanylbenzamide
CID 41044373
N-(2-benzoyl-4-bromophenyl)-5-chloro-2-methoxybenzamide
CID 4546153

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-chlorophenyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(2-benzoyl-4-chlorophenyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide (CID 19508722) is N-(2-benzoyl-4-chlorophenyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(2-benzoyl-4-chlorophenyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(2-benzoyl-4-chlorophenyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide is COc1ccc(-c2cc(C(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)[nH]n2)cc1.
What is the InChIKey of N-(2-benzoyl-4-chlorophenyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is BJGOPIKBADKIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN3O3/c1-31-18-10-7-15(8-11-18)21-14-22(28-27-21)24(30)26-20-12-9-17(25)13-19(20)23(29)16-5-3-2-4-6-16/h2-14H,1H3,(H,26,30)(H,27,28).
What are the key properties of N-(2-benzoyl-4-chlorophenyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide?
N-(2-benzoyl-4-chlorophenyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 431.88 g/mol, XLogP of 5.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-chlorophenyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19508722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).