N-(3-chloro-4-fluorophenyl)-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide

C14H8ClF4N3OS — CID 2808495

IUPACN-(3-chloro-4-fluorophenyl)-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCn1nc(C(F)(F)F)c2cc(C(=O)Nc3ccc(F)c(Cl)c3)sc21
InChIInChI=1S/C14H8ClF4N3OS/c1-22-13-7(11(21-22)14(17,18)19)5-10(24-13)12(23)20-6-2-3-9(16)8(15)4-6/h2-5H,1H3,(H,20,23)
InChIKeyBNGXRVMPABQTHO-UHFFFAOYSA-N
MW377.75 g/mol
LogP4.70
Rot. Bonds2

About N-(3-chloro-4-fluorophenyl)-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide

N-(3-chloro-4-fluorophenyl)-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 2808495) has the molecular formula C14H8ClF4N3OS and a molecular weight of 377.75 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
PubChem CID2808495
Molecular FormulaC14H8ClF4N3OS
Molecular Weight377.75 g/mol
Exact Mass377.00
IUPAC NameN-(3-chloro-4-fluorophenyl)-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCn1nc(C(F)(F)F)c2cc(C(=O)Nc3ccc(F)c(Cl)c3)sc21
InChIInChI=1S/C14H8ClF4N3OS/c1-22-13-7(11(21-22)14(17,18)19)5-10(24-13)12(23)20-6-2-3-9(16)8(15)4-6/h2-5H,1H3,(H,20,23)
InChIKeyBNGXRVMPABQTHO-UHFFFAOYSA-N
XLogP4.70
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.75
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide (CID 2808495) is N-(3-chloro-4-fluorophenyl)-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide is Cn1nc(C(F)(F)F)c2cc(C(=O)Nc3ccc(F)c(Cl)c3)sc21.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is BNGXRVMPABQTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF4N3OS/c1-22-13-7(11(21-22)14(17,18)19)5-10(24-13)12(23)20-6-2-3-9(16)8(15)4-6/h2-5H,1H3,(H,20,23).
What are the key properties of N-(3-chloro-4-fluorophenyl)-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide?
N-(3-chloro-4-fluorophenyl)-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 377.75 g/mol, XLogP of 4.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 2808495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).