3-amino-5-(3-fluoro-2-hydroxyphenyl)-N-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazole-4-carboxamide

C16H11F4N5O2 — CID 140862155

IUPAC3-amino-5-(3-fluoro-2-hydroxyphenyl)-N-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazole-4-carboxamide
SMILESNc1n[nH]c(-c2cccc(F)c2O)c1C(=O)Nc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C16H11F4N5O2/c17-9-3-1-2-8(13(9)26)12-11(14(21)25-24-12)15(27)23-10-5-4-7(6-22-10)16(18,19)20/h1-6,26H,(H3,21,24,25)(H,22,23,27)
InChIKeyFNAJCVOYFQQFLY-UHFFFAOYSA-N
MW381.29 g/mol
LogP3.17
Rot. Bonds3

About 3-amino-5-(3-fluoro-2-hydroxyphenyl)-N-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazole-4-carboxamide

3-amino-5-(3-fluoro-2-hydroxyphenyl)-N-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazole-4-carboxamide (PubChem CID 140862155) has the molecular formula C16H11F4N5O2 and a molecular weight of 381.29 g/mol. Its IUPAC name is 3-amino-5-(3-fluoro-2-hydroxyphenyl)-N-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-(3-fluoro-2-hydroxyphenyl)-N-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazole-4-carboxamide
PubChem CID140862155
Molecular FormulaC16H11F4N5O2
Molecular Weight381.29 g/mol
Exact Mass381.08
IUPAC Name3-amino-5-(3-fluoro-2-hydroxyphenyl)-N-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazole-4-carboxamide
SMILESNc1n[nH]c(-c2cccc(F)c2O)c1C(=O)Nc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C16H11F4N5O2/c17-9-3-1-2-8(13(9)26)12-11(14(21)25-24-12)15(27)23-10-5-4-7(6-22-10)16(18,19)20/h1-6,26H,(H3,21,24,25)(H,22,23,27)
InChIKeyFNAJCVOYFQQFLY-UHFFFAOYSA-N
XLogP3.17
TPSA116.92 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.29
LogP ≤ 53.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 3-amino-5-(3-fluoro-2-hydroxyphenyl)-N-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(3-fluoro-2-hydroxyphenyl)-N-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 3-amino-5-(3-fluoro-2-hydroxyphenyl)-N-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazole-4-carboxamide (CID 140862155) is 3-amino-5-(3-fluoro-2-hydroxyphenyl)-N-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-(3-fluoro-2-hydroxyphenyl)-N-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3-amino-5-(3-fluoro-2-hydroxyphenyl)-N-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazole-4-carboxamide is Nc1n[nH]c(-c2cccc(F)c2O)c1C(=O)Nc1ccc(C(F)(F)F)cn1.
What is the InChIKey of 3-amino-5-(3-fluoro-2-hydroxyphenyl)-N-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazole-4-carboxamide?
The InChIKey is FNAJCVOYFQQFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F4N5O2/c17-9-3-1-2-8(13(9)26)12-11(14(21)25-24-12)15(27)23-10-5-4-7(6-22-10)16(18,19)20/h1-6,26H,(H3,21,24,25)(H,22,23,27).
What are the key properties of 3-amino-5-(3-fluoro-2-hydroxyphenyl)-N-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazole-4-carboxamide?
3-amino-5-(3-fluoro-2-hydroxyphenyl)-N-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazole-4-carboxamide has a molecular weight of 381.29 g/mol, XLogP of 3.17, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(3-fluoro-2-hydroxyphenyl)-N-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 140862155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).