5-chloro-1,3-dimethyl-N-[2-(1-propan-2-ylsulfanylethyl)phenyl]pyrazole-4-carboxamide

C17H22ClN3OS — CID 59559822

IUPAC5-chloro-1,3-dimethyl-N-[2-(1-propan-2-ylsulfanylethyl)phenyl]pyrazole-4-carboxamide
SMILESCc1nn(C)c(Cl)c1C(=O)Nc1ccccc1C(C)SC(C)C
InChIInChI=1S/C17H22ClN3OS/c1-10(2)23-12(4)13-8-6-7-9-14(13)19-17(22)15-11(3)20-21(5)16(15)18/h6-10,12H,1-5H3,(H,19,22)
InChIKeyZLIIBVLHXZKQKO-UHFFFAOYSA-N
MW351.90 g/mol
LogP4.84
Rot. Bonds5

About 5-chloro-1,3-dimethyl-N-[2-(1-propan-2-ylsulfanylethyl)phenyl]pyrazole-4-carboxamide

5-chloro-1,3-dimethyl-N-[2-(1-propan-2-ylsulfanylethyl)phenyl]pyrazole-4-carboxamide (PubChem CID 59559822) has the molecular formula C17H22ClN3OS and a molecular weight of 351.90 g/mol. Its IUPAC name is 5-chloro-1,3-dimethyl-N-[2-(1-propan-2-ylsulfanylethyl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-1,3-dimethyl-N-[2-(1-propan-2-ylsulfanylethyl)phenyl]pyrazole-4-carboxamide
PubChem CID59559822
Molecular FormulaC17H22ClN3OS
Molecular Weight351.90 g/mol
Exact Mass351.12
IUPAC Name5-chloro-1,3-dimethyl-N-[2-(1-propan-2-ylsulfanylethyl)phenyl]pyrazole-4-carboxamide
SMILESCc1nn(C)c(Cl)c1C(=O)Nc1ccccc1C(C)SC(C)C
InChIInChI=1S/C17H22ClN3OS/c1-10(2)23-12(4)13-8-6-7-9-14(13)19-17(22)15-11(3)20-21(5)16(15)18/h6-10,12H,1-5H3,(H,19,22)
InChIKeyZLIIBVLHXZKQKO-UHFFFAOYSA-N
XLogP4.84
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.90
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-chloro-1,3-dimethyl-N-[2-(1-propan-2-ylsulfanylethyl)phenyl]pyrazole-4-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

N-[2-(3-chloro-4-methylpentan-2-yl)phenyl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide
CID 23154700
3-(difluoromethyl)-1-methyl-N-[2-(1-propan-2-ylsulfanylethyl)phenyl]pyrazole-4-carboxamide
CID 59559816
5-chloro-N-(4-iodophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 18279909
5-fluoro-1,3-dimethyl-N-[2-[(2S)-4-methylhexan-2-yl]phenyl]pyrazole-4-carboxamide
CID 142208045
5-chloro-N-(3,5-dimethylphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 18279655
1,5-dimethyl-N-(2-propan-2-ylphenyl)pyrazole-3-carboxamide
CID 110685790
N-(3-acetylphenyl)-5-chloro-1,3-dimethylpyrazole-4-carboxamide
CID 47137762
2,6-dichloro-N-(2-propan-2-ylphenyl)benzamide
CID 4547297
5-chloro-N-(4-methoxyphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 47137680
N-[2-(bromomethyl)phenyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 113274430
5-chloro-1,3-dimethyl-N-(5-phenyl-1H-1,2,4-triazol-3-yl)pyrazole-4-carboxamide
CID 11809256
6-methyl-N-[2-(1-propan-2-ylsulfanylethyl)phenyl]-2,3-dihydro-1,4-oxathiine-5-carboxamide
CID 59559827

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1,3-dimethyl-N-[2-(1-propan-2-ylsulfanylethyl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of 5-chloro-1,3-dimethyl-N-[2-(1-propan-2-ylsulfanylethyl)phenyl]pyrazole-4-carboxamide (CID 59559822) is 5-chloro-1,3-dimethyl-N-[2-(1-propan-2-ylsulfanylethyl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-1,3-dimethyl-N-[2-(1-propan-2-ylsulfanylethyl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-1,3-dimethyl-N-[2-(1-propan-2-ylsulfanylethyl)phenyl]pyrazole-4-carboxamide is Cc1nn(C)c(Cl)c1C(=O)Nc1ccccc1C(C)SC(C)C.
What is the InChIKey of 5-chloro-1,3-dimethyl-N-[2-(1-propan-2-ylsulfanylethyl)phenyl]pyrazole-4-carboxamide?
The InChIKey is ZLIIBVLHXZKQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3OS/c1-10(2)23-12(4)13-8-6-7-9-14(13)19-17(22)15-11(3)20-21(5)16(15)18/h6-10,12H,1-5H3,(H,19,22).
What are the key properties of 5-chloro-1,3-dimethyl-N-[2-(1-propan-2-ylsulfanylethyl)phenyl]pyrazole-4-carboxamide?
5-chloro-1,3-dimethyl-N-[2-(1-propan-2-ylsulfanylethyl)phenyl]pyrazole-4-carboxamide has a molecular weight of 351.90 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,3-dimethyl-N-[2-(1-propan-2-ylsulfanylethyl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 59559822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).