5-(5-chlorothiophen-2-yl)-1-methyl-N-(3-methylbutyl)pyrazole-3-carboxamide

C14H18ClN3OS — CID 110336668

IUPAC5-(5-chlorothiophen-2-yl)-1-methyl-N-(3-methylbutyl)pyrazole-3-carboxamide
SMILESCC(C)CCNC(=O)c1cc(-c2ccc(Cl)s2)n(C)n1
InChIInChI=1S/C14H18ClN3OS/c1-9(2)6-7-16-14(19)10-8-11(18(3)17-10)12-4-5-13(15)20-12/h4-5,8-9H,6-7H2,1-3H3,(H,16,19)
InChIKeyWSQGXSSVPJDYTI-UHFFFAOYSA-N
MW311.84 g/mol
LogP3.58
Rot. Bonds5

About 5-(5-chlorothiophen-2-yl)-1-methyl-N-(3-methylbutyl)pyrazole-3-carboxamide

5-(5-chlorothiophen-2-yl)-1-methyl-N-(3-methylbutyl)pyrazole-3-carboxamide (PubChem CID 110336668) has the molecular formula C14H18ClN3OS and a molecular weight of 311.84 g/mol. Its IUPAC name is 5-(5-chlorothiophen-2-yl)-1-methyl-N-(3-methylbutyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(5-chlorothiophen-2-yl)-1-methyl-N-(3-methylbutyl)pyrazole-3-carboxamide
PubChem CID110336668
Molecular FormulaC14H18ClN3OS
Molecular Weight311.84 g/mol
Exact Mass311.09
IUPAC Name5-(5-chlorothiophen-2-yl)-1-methyl-N-(3-methylbutyl)pyrazole-3-carboxamide
SMILESCC(C)CCNC(=O)c1cc(-c2ccc(Cl)s2)n(C)n1
InChIInChI=1S/C14H18ClN3OS/c1-9(2)6-7-16-14(19)10-8-11(18(3)17-10)12-4-5-13(15)20-12/h4-5,8-9H,6-7H2,1-3H3,(H,16,19)
InChIKeyWSQGXSSVPJDYTI-UHFFFAOYSA-N
XLogP3.58
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.84
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(5-chlorothiophen-2-yl)-1-methyl-N-propylpyrazole-3-carboxamide
CID 110336625
5-(5-chlorothiophen-2-yl)-N-[3-(dimethylamino)propyl]-1-methylpyrazole-3-carboxamide
CID 110336642
5-(5-chlorothiophen-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]-1-methylpyrazole-3-carboxamide
CID 110336666
5-(5-chlorothiophen-2-yl)-N-(3-hydroxybutyl)-1,2-oxazole-3-carboxamide
CID 111433417
5-(5-chlorothiophen-2-yl)-1-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-3-carboxamide
CID 46104521
5-(5-chlorothiophen-2-yl)-1-ethyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
CID 46104502
N-butyl-1-methyl-5-thiophen-2-ylpyrazole-3-carboxamide
CID 110335994
5-(5-chlorothiophen-2-yl)-1-propylpyrazole-3-carboxylic acid
CID 42879169
5-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-1-methylpyrazole-3-carboxamide
CID 110336233
1-methyl-5-(4-methylphenyl)-N-(2-methylsulfonylethyl)pyrazole-3-carboxamide
CID 110357214
5-(5-chlorothiophen-2-yl)-N-(3,4-difluorophenyl)-1-ethylpyrazole-3-carboxamide
CID 46104522
5-(5-chlorothiophen-2-yl)-1-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide
CID 46104506

Frequently Asked Questions

What is the IUPAC name of 5-(5-chlorothiophen-2-yl)-1-methyl-N-(3-methylbutyl)pyrazole-3-carboxamide?
The IUPAC name of 5-(5-chlorothiophen-2-yl)-1-methyl-N-(3-methylbutyl)pyrazole-3-carboxamide (CID 110336668) is 5-(5-chlorothiophen-2-yl)-1-methyl-N-(3-methylbutyl)pyrazole-3-carboxamide.
What is the SMILES notation for 5-(5-chlorothiophen-2-yl)-1-methyl-N-(3-methylbutyl)pyrazole-3-carboxamide?
The canonical SMILES for 5-(5-chlorothiophen-2-yl)-1-methyl-N-(3-methylbutyl)pyrazole-3-carboxamide is CC(C)CCNC(=O)c1cc(-c2ccc(Cl)s2)n(C)n1.
What is the InChIKey of 5-(5-chlorothiophen-2-yl)-1-methyl-N-(3-methylbutyl)pyrazole-3-carboxamide?
The InChIKey is WSQGXSSVPJDYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3OS/c1-9(2)6-7-16-14(19)10-8-11(18(3)17-10)12-4-5-13(15)20-12/h4-5,8-9H,6-7H2,1-3H3,(H,16,19).
What are the key properties of 5-(5-chlorothiophen-2-yl)-1-methyl-N-(3-methylbutyl)pyrazole-3-carboxamide?
5-(5-chlorothiophen-2-yl)-1-methyl-N-(3-methylbutyl)pyrazole-3-carboxamide has a molecular weight of 311.84 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chlorothiophen-2-yl)-1-methyl-N-(3-methylbutyl)pyrazole-3-carboxamide is sourced from PubChem (CID 110336668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).