N-(3-chloro-2-methylphenyl)-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide

C15H11ClF3N3OS — CID 171314963

IUPACN-(3-chloro-2-methylphenyl)-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1cc2c(C(F)(F)F)nn(C)c2s1
InChIInChI=1S/C15H11ClF3N3OS/c1-7-9(16)4-3-5-10(7)20-13(23)11-6-8-12(15(17,18)19)21-22(2)14(8)24-11/h3-6H,1-2H3,(H,20,23)
InChIKeyYFXQOJILHKYNQL-UHFFFAOYSA-N
MW373.79 g/mol
LogP4.87
Rot. Bonds2

About N-(3-chloro-2-methylphenyl)-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide

N-(3-chloro-2-methylphenyl)-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 171314963) has the molecular formula C15H11ClF3N3OS and a molecular weight of 373.79 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
PubChem CID171314963
Molecular FormulaC15H11ClF3N3OS
Molecular Weight373.79 g/mol
Exact Mass373.03
IUPAC NameN-(3-chloro-2-methylphenyl)-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1cc2c(C(F)(F)F)nn(C)c2s1
InChIInChI=1S/C15H11ClF3N3OS/c1-7-9(16)4-3-5-10(7)20-13(23)11-6-8-12(15(17,18)19)21-22(2)14(8)24-11/h3-6H,1-2H3,(H,20,23)
InChIKeyYFXQOJILHKYNQL-UHFFFAOYSA-N
XLogP4.87
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.79
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide (CID 171314963) is N-(3-chloro-2-methylphenyl)-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide is Cc1c(Cl)cccc1NC(=O)c1cc2c(C(F)(F)F)nn(C)c2s1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is YFXQOJILHKYNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF3N3OS/c1-7-9(16)4-3-5-10(7)20-13(23)11-6-8-12(15(17,18)19)21-22(2)14(8)24-11/h3-6H,1-2H3,(H,20,23).
What are the key properties of N-(3-chloro-2-methylphenyl)-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide?
N-(3-chloro-2-methylphenyl)-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 373.79 g/mol, XLogP of 4.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 171314963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).