N-(5-chloro-2-pyridinyl)-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-2-carboxamide

C15H10ClF3N4OS — CID 19496777

IUPACN-(5-chloro-2-pyridinyl)-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)c1cc(Cn2ccc(C(F)(F)F)n2)cs1
InChIInChI=1S/C15H10ClF3N4OS/c16-10-1-2-13(20-6-10)21-14(24)11-5-9(8-25-11)7-23-4-3-12(22-23)15(17,18)19/h1-6,8H,7H2,(H,20,21,24)
InChIKeyNJHPDPBHQVFSQD-UHFFFAOYSA-N
MW386.79 g/mol
LogP4.31
Rot. Bonds4

About N-(5-chloro-2-pyridinyl)-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-2-carboxamide

N-(5-chloro-2-pyridinyl)-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-2-carboxamide (PubChem CID 19496777) has the molecular formula C15H10ClF3N4OS and a molecular weight of 386.79 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-2-carboxamide
PubChem CID19496777
Molecular FormulaC15H10ClF3N4OS
Molecular Weight386.79 g/mol
Exact Mass386.02
IUPAC NameN-(5-chloro-2-pyridinyl)-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)c1cc(Cn2ccc(C(F)(F)F)n2)cs1
InChIInChI=1S/C15H10ClF3N4OS/c16-10-1-2-13(20-6-10)21-14(24)11-5-9(8-25-11)7-23-4-3-12(22-23)15(17,18)19/h1-6,8H,7H2,(H,20,21,24)
InChIKeyNJHPDPBHQVFSQD-UHFFFAOYSA-N
XLogP4.31
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.79
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-2-carboxamide (CID 19496777) is N-(5-chloro-2-pyridinyl)-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-2-carboxamide is O=C(Nc1ccc(Cl)cn1)c1cc(Cn2ccc(C(F)(F)F)n2)cs1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-2-carboxamide?
The InChIKey is NJHPDPBHQVFSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3N4OS/c16-10-1-2-13(20-6-10)21-14(24)11-5-9(8-25-11)7-23-4-3-12(22-23)15(17,18)19/h1-6,8H,7H2,(H,20,21,24).
What are the key properties of N-(5-chloro-2-pyridinyl)-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-2-carboxamide?
N-(5-chloro-2-pyridinyl)-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-2-carboxamide has a molecular weight of 386.79 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 19496777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).