2-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]-5-methylsulfanylbenzamide

C24H20ClN3OS — CID 19288805

IUPAC2-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]-5-methylsulfanylbenzamide
SMILESCSc1ccc(Cl)c(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccccc2)c1
InChIInChI=1S/C24H20ClN3OS/c1-30-20-12-13-22(25)21(14-20)24(29)26-15-18-16-28(19-10-6-3-7-11-19)27-23(18)17-8-4-2-5-9-17/h2-14,16H,15H2,1H3,(H,26,29)
InChIKeyMNWDFXBRHATGTO-UHFFFAOYSA-N
MW433.96 g/mol
LogP5.84
Rot. Bonds6

About 2-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]-5-methylsulfanylbenzamide

2-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]-5-methylsulfanylbenzamide (PubChem CID 19288805) has the molecular formula C24H20ClN3OS and a molecular weight of 433.96 g/mol. Its IUPAC name is 2-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]-5-methylsulfanylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]-5-methylsulfanylbenzamide
PubChem CID19288805
Molecular FormulaC24H20ClN3OS
Molecular Weight433.96 g/mol
Exact Mass433.10
IUPAC Name2-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]-5-methylsulfanylbenzamide
SMILESCSc1ccc(Cl)c(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccccc2)c1
InChIInChI=1S/C24H20ClN3OS/c1-30-20-12-13-22(25)21(14-20)24(29)26-15-18-16-28(19-10-6-3-7-11-19)27-23(18)17-8-4-2-5-9-17/h2-14,16H,15H2,1H3,(H,26,29)
InChIKeyMNWDFXBRHATGTO-UHFFFAOYSA-N
XLogP5.84
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.96
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzamide
CID 19290337
N-[(1,3-diphenylpyrazol-4-yl)methyl]-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide
CID 19288831
N-[(1,3-diphenylpyrazol-4-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide
CID 19279614
3-(4-chlorophenyl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 19509375
4-bromo-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-methylpyrazole-3-carboxamide
CID 19262748
N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-ethylpyrazole-4-carboxamide
CID 19281007
1-(3,4-dichlorophenyl)-3-[(1,3-diphenylpyrazol-4-yl)methyl]thiourea
CID 19325026
3-[(2-chloro-5-methylphenoxy)methyl]-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzamide
CID 19290270
4,5-dibromo-N-[(1,3-diphenylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 19288857
N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(methoxymethyl)benzamide
CID 24548704
2-(4-chloro-5-methylpyrazol-1-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]acetamide
CID 19520601
(2R)-2-[(1,3-diphenylpyrazol-4-yl)methylamino]-3-methylsulfanylpropanoic acid
CID 46901840

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]-5-methylsulfanylbenzamide?
The IUPAC name of 2-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]-5-methylsulfanylbenzamide (CID 19288805) is 2-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]-5-methylsulfanylbenzamide.
What is the SMILES notation for 2-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]-5-methylsulfanylbenzamide?
The canonical SMILES for 2-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]-5-methylsulfanylbenzamide is CSc1ccc(Cl)c(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccccc2)c1.
What is the InChIKey of 2-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]-5-methylsulfanylbenzamide?
The InChIKey is MNWDFXBRHATGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3OS/c1-30-20-12-13-22(25)21(14-20)24(29)26-15-18-16-28(19-10-6-3-7-11-19)27-23(18)17-8-4-2-5-9-17/h2-14,16H,15H2,1H3,(H,26,29).
What are the key properties of 2-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]-5-methylsulfanylbenzamide?
2-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]-5-methylsulfanylbenzamide has a molecular weight of 433.96 g/mol, XLogP of 5.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]-5-methylsulfanylbenzamide is sourced from PubChem (CID 19288805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).