4-amino-N-(2-fluorophenyl)-5-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide

C16H12F4N4OS — CID 68062204

IUPAC4-amino-N-(2-fluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-carboxamide
SMILESCN1C(=CC(=N1)C(F)(F)F)C2=C(C=C(S2)C(=O)NC3=CC=CC=C3F)N
InChIInChI=1S/C16H12F4N4OS/c1-24-11(7-13(23-24)16(18,19)20)14-9(21)6-12(26-14)15(25)22-10-5-3-2-4-8(10)17/h2-7H,21H2,1H3,(H,22,25)
InChIKeyHRRGZRVYQOLKBI-UHFFFAOYSA-N
MW384.40 g/mol
LogP3.10
Rot. Bonds3

About 4-amino-N-(2-fluorophenyl)-5-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide

4-amino-N-(2-fluorophenyl)-5-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide (PubChem CID 68062204) has the molecular formula C16H12F4N4OS and a molecular weight of 384.40 g/mol. Its IUPAC name is 4-amino-N-(2-fluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-fluorophenyl)-5-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide
PubChem CID68062204
Molecular FormulaC16H12F4N4OS
Molecular Weight384.40 g/mol
Exact Mass384.07
IUPAC Name4-amino-N-(2-fluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-carboxamide
SMILESCN1C(=CC(=N1)C(F)(F)F)C2=C(C=C(S2)C(=O)NC3=CC=CC=C3F)N
InChIInChI=1S/C16H12F4N4OS/c1-24-11(7-13(23-24)16(18,19)20)14-9(21)6-12(26-14)15(25)22-10-5-3-2-4-8(10)17/h2-7H,21H2,1H3,(H,22,25)
InChIKeyHRRGZRVYQOLKBI-UHFFFAOYSA-N
XLogP3.10
TPSA101.00 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity523

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-fluorophenyl)-5-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide?
The IUPAC name of 4-amino-N-(2-fluorophenyl)-5-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide (CID 68062204) is 4-amino-N-(2-fluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-carboxamide.
What is the SMILES notation for 4-amino-N-(2-fluorophenyl)-5-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide?
The canonical SMILES for 4-amino-N-(2-fluorophenyl)-5-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide is CN1C(=CC(=N1)C(F)(F)F)C2=C(C=C(S2)C(=O)NC3=CC=CC=C3F)N.
What is the InChIKey of 4-amino-N-(2-fluorophenyl)-5-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide?
The InChIKey is HRRGZRVYQOLKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F4N4OS/c1-24-11(7-13(23-24)16(18,19)20)14-9(21)6-12(26-14)15(25)22-10-5-3-2-4-8(10)17/h2-7H,21H2,1H3,(H,22,25).
What are the key properties of 4-amino-N-(2-fluorophenyl)-5-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide?
4-amino-N-(2-fluorophenyl)-5-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide has a molecular weight of 384.40 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-fluorophenyl)-5-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 68062204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).