5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-pyridin-3-ylethyl)thiophene-2-carboxamide

C17H15F3N4OS — CID 23627578

IUPAC5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-pyridin-3-ylethyl)thiophene-2-carboxamide
SMILESCn1nc(-c2ccc(C(=O)NCCc3cccnc3)s2)cc1C(F)(F)F
InChIInChI=1S/C17H15F3N4OS/c1-24-15(17(18,19)20)9-12(23-24)13-4-5-14(26-13)16(25)22-8-6-11-3-2-7-21-10-11/h2-5,7,9-10H,6,8H2,1H3,(H,22,25)
InChIKeySPSHGMDEWIZNNV-UHFFFAOYSA-N
MW380.40 g/mol
LogP3.53
Rot. Bonds5

About 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-pyridin-3-ylethyl)thiophene-2-carboxamide

5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-pyridin-3-ylethyl)thiophene-2-carboxamide (PubChem CID 23627578) has the molecular formula C17H15F3N4OS and a molecular weight of 380.40 g/mol. Its IUPAC name is 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-pyridin-3-ylethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-pyridin-3-ylethyl)thiophene-2-carboxamide
PubChem CID23627578
Molecular FormulaC17H15F3N4OS
Molecular Weight380.40 g/mol
Exact Mass380.09
IUPAC Name5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-pyridin-3-ylethyl)thiophene-2-carboxamide
SMILESCn1nc(-c2ccc(C(=O)NCCc3cccnc3)s2)cc1C(F)(F)F
InChIInChI=1S/C17H15F3N4OS/c1-24-15(17(18,19)20)9-12(23-24)13-4-5-14(26-13)16(25)22-8-6-11-3-2-7-21-10-11/h2-5,7,9-10H,6,8H2,1H3,(H,22,25)
InChIKeySPSHGMDEWIZNNV-UHFFFAOYSA-N
XLogP3.53
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-pyridin-3-ylethyl)thiophene-2-carboxamide?
The IUPAC name of 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-pyridin-3-ylethyl)thiophene-2-carboxamide (CID 23627578) is 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-pyridin-3-ylethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-pyridin-3-ylethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-pyridin-3-ylethyl)thiophene-2-carboxamide is Cn1nc(-c2ccc(C(=O)NCCc3cccnc3)s2)cc1C(F)(F)F.
What is the InChIKey of 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-pyridin-3-ylethyl)thiophene-2-carboxamide?
The InChIKey is SPSHGMDEWIZNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4OS/c1-24-15(17(18,19)20)9-12(23-24)13-4-5-14(26-13)16(25)22-8-6-11-3-2-7-21-10-11/h2-5,7,9-10H,6,8H2,1H3,(H,22,25).
What are the key properties of 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-pyridin-3-ylethyl)thiophene-2-carboxamide?
5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-pyridin-3-ylethyl)thiophene-2-carboxamide has a molecular weight of 380.40 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-pyridin-3-ylethyl)thiophene-2-carboxamide is sourced from PubChem (CID 23627578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).