N-[2-(4-chlorophenyl)sulfanylphenyl]-1-(methoxymethyl)pyrazole-3-carboxamide

C18H16ClN3O2S — CID 19270737

IUPACN-[2-(4-chlorophenyl)sulfanylphenyl]-1-(methoxymethyl)pyrazole-3-carboxamide
SMILESCOCn1ccc(C(=O)Nc2ccccc2Sc2ccc(Cl)cc2)n1
InChIInChI=1S/C18H16ClN3O2S/c1-24-12-22-11-10-16(21-22)18(23)20-15-4-2-3-5-17(15)25-14-8-6-13(19)7-9-14/h2-11H,12H2,1H3,(H,20,23)
InChIKeyOVXYASQMCNSCNC-UHFFFAOYSA-N
MW373.87 g/mol
LogP4.54
Rot. Bonds6

About N-[2-(4-chlorophenyl)sulfanylphenyl]-1-(methoxymethyl)pyrazole-3-carboxamide

N-[2-(4-chlorophenyl)sulfanylphenyl]-1-(methoxymethyl)pyrazole-3-carboxamide (PubChem CID 19270737) has the molecular formula C18H16ClN3O2S and a molecular weight of 373.87 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)sulfanylphenyl]-1-(methoxymethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)sulfanylphenyl]-1-(methoxymethyl)pyrazole-3-carboxamide
PubChem CID19270737
Molecular FormulaC18H16ClN3O2S
Molecular Weight373.87 g/mol
Exact Mass373.07
IUPAC NameN-[2-(4-chlorophenyl)sulfanylphenyl]-1-(methoxymethyl)pyrazole-3-carboxamide
SMILESCOCn1ccc(C(=O)Nc2ccccc2Sc2ccc(Cl)cc2)n1
InChIInChI=1S/C18H16ClN3O2S/c1-24-12-22-11-10-16(21-22)18(23)20-15-4-2-3-5-17(15)25-14-8-6-13(19)7-9-14/h2-11H,12H2,1H3,(H,20,23)
InChIKeyOVXYASQMCNSCNC-UHFFFAOYSA-N
XLogP4.54
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.87
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(4-chlorophenyl)sulfanylphenyl]-1-(methoxymethyl)pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-phenylphenoxy)methyl]-N-(2-phenylsulfanylphenyl)pyrazole-3-carboxamide
CID 19273348
N-[2-(4-chlorophenyl)sulfanylphenyl]-4-iodo-1-methylpyrazole-3-carboxamide
CID 19264116
1-(methoxymethyl)-N-(4-phenylphenyl)pyrazole-3-carboxamide
CID 19270816
2-[(2-chlorophenoxy)methyl]-N-[2-(4-chlorophenyl)sulfanylphenyl]pyrazole-3-carboxamide
CID 19507015
N-(2-methoxyethyl)-1-(methoxymethyl)pyrazole-3-carboxamide
CID 19270943
1-methyl-6-oxo-N-(2-phenylsulfanylphenyl)pyridazine-3-carboxamide
CID 51316560
4-[[1-(methoxymethyl)pyrazole-3-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide
CID 19270975
1-[(2,6-dichlorophenoxy)methyl]-N-(2-fluorophenyl)pyrazole-3-carboxamide
CID 17021920
1-[(2-chlorophenoxy)methyl]-N-(2-fluorophenyl)pyrazole-3-carboxamide
CID 4774958
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide
CID 19525421
N-[2-(4-chlorophenyl)sulfanylphenyl]-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide
CID 8712133
N-[2-(4-chlorophenyl)sulfanylphenyl]-3-(4-chloropyrazol-1-yl)propanamide
CID 19542004

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)sulfanylphenyl]-1-(methoxymethyl)pyrazole-3-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)sulfanylphenyl]-1-(methoxymethyl)pyrazole-3-carboxamide (CID 19270737) is N-[2-(4-chlorophenyl)sulfanylphenyl]-1-(methoxymethyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)sulfanylphenyl]-1-(methoxymethyl)pyrazole-3-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)sulfanylphenyl]-1-(methoxymethyl)pyrazole-3-carboxamide is COCn1ccc(C(=O)Nc2ccccc2Sc2ccc(Cl)cc2)n1.
What is the InChIKey of N-[2-(4-chlorophenyl)sulfanylphenyl]-1-(methoxymethyl)pyrazole-3-carboxamide?
The InChIKey is OVXYASQMCNSCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2S/c1-24-12-22-11-10-16(21-22)18(23)20-15-4-2-3-5-17(15)25-14-8-6-13(19)7-9-14/h2-11H,12H2,1H3,(H,20,23).
What are the key properties of N-[2-(4-chlorophenyl)sulfanylphenyl]-1-(methoxymethyl)pyrazole-3-carboxamide?
N-[2-(4-chlorophenyl)sulfanylphenyl]-1-(methoxymethyl)pyrazole-3-carboxamide has a molecular weight of 373.87 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)sulfanylphenyl]-1-(methoxymethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19270737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).