1-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

C16H11ClF3N3OS — CID 32656452

IUPAC1-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(NCc1cccs1)c1cnn(-c2cccc(Cl)c2)c1C(F)(F)F
InChIInChI=1S/C16H11ClF3N3OS/c17-10-3-1-4-11(7-10)23-14(16(18,19)20)13(9-22-23)15(24)21-8-12-5-2-6-25-12/h1-7,9H,8H2,(H,21,24)
InChIKeyNDLYVLJFANTFCP-UHFFFAOYSA-N
MW385.80 g/mol
LogP4.54
Rot. Bonds4

About 1-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

1-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 32656452) has the molecular formula C16H11ClF3N3OS and a molecular weight of 385.80 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID32656452
Molecular FormulaC16H11ClF3N3OS
Molecular Weight385.80 g/mol
Exact Mass385.03
IUPAC Name1-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(NCc1cccs1)c1cnn(-c2cccc(Cl)c2)c1C(F)(F)F
InChIInChI=1S/C16H11ClF3N3OS/c17-10-3-1-4-11(7-10)23-14(16(18,19)20)13(9-22-23)15(24)21-8-12-5-2-6-25-12/h1-7,9H,8H2,(H,21,24)
InChIKeyNDLYVLJFANTFCP-UHFFFAOYSA-N
XLogP4.54
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.80
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 32656452) is 1-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide is O=C(NCc1cccs1)c1cnn(-c2cccc(Cl)c2)c1C(F)(F)F.
What is the InChIKey of 1-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is NDLYVLJFANTFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF3N3OS/c17-10-3-1-4-11(7-10)23-14(16(18,19)20)13(9-22-23)15(24)21-8-12-5-2-6-25-12/h1-7,9H,8H2,(H,21,24).
What are the key properties of 1-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
1-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 385.80 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 32656452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).