3-[(4-hydroxyphenyl)methylamino]-5-[[6-(trifluoromethyl)-3-pyridinyl]amino]-1H-pyrazole-4-carboxamide

C17H15F3N6O2 — CID 71765106

IUPAC3-[(4-hydroxyphenyl)methylamino]-5-[[6-(trifluoromethyl)-3-pyridinyl]amino]-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1c(NCc2ccc(O)cc2)n[nH]c1Nc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C17H15F3N6O2/c18-17(19,20)12-6-3-10(8-22-12)24-16-13(14(21)28)15(25-26-16)23-7-9-1-4-11(27)5-2-9/h1-6,8,27H,7H2,(H2,21,28)(H3,23,24,25,26)
InChIKeyGJHDGZFNHALHAF-UHFFFAOYSA-N
MW392.34 g/mol
LogP2.98
Rot. Bonds6

About 3-[(4-hydroxyphenyl)methylamino]-5-[[6-(trifluoromethyl)-3-pyridinyl]amino]-1H-pyrazole-4-carboxamide

3-[(4-hydroxyphenyl)methylamino]-5-[[6-(trifluoromethyl)-3-pyridinyl]amino]-1H-pyrazole-4-carboxamide (PubChem CID 71765106) has the molecular formula C17H15F3N6O2 and a molecular weight of 392.34 g/mol. Its IUPAC name is 3-[(4-hydroxyphenyl)methylamino]-5-[[6-(trifluoromethyl)-3-pyridinyl]amino]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-[(4-hydroxyphenyl)methylamino]-5-[[6-(trifluoromethyl)-3-pyridinyl]amino]-1H-pyrazole-4-carboxamide
PubChem CID71765106
Molecular FormulaC17H15F3N6O2
Molecular Weight392.34 g/mol
Exact Mass392.12
IUPAC Name3-[(4-hydroxyphenyl)methylamino]-5-[[6-(trifluoromethyl)-3-pyridinyl]amino]-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1c(NCc2ccc(O)cc2)n[nH]c1Nc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C17H15F3N6O2/c18-17(19,20)12-6-3-10(8-22-12)24-16-13(14(21)28)15(25-26-16)23-7-9-1-4-11(27)5-2-9/h1-6,8,27H,7H2,(H2,21,28)(H3,23,24,25,26)
InChIKeyGJHDGZFNHALHAF-UHFFFAOYSA-N
XLogP2.98
TPSA128.95 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.34
LogP ≤ 52.98
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze 3-[(4-hydroxyphenyl)methylamino]-5-[[6-(trifluoromethyl)-3-pyridinyl]amino]-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-[(4-hydroxyphenyl)methylamino]-5-[[6-(trifluoromethyl)-3-pyridinyl]amino]-1H-pyrazole-4-carboxamide?
The IUPAC name of 3-[(4-hydroxyphenyl)methylamino]-5-[[6-(trifluoromethyl)-3-pyridinyl]amino]-1H-pyrazole-4-carboxamide (CID 71765106) is 3-[(4-hydroxyphenyl)methylamino]-5-[[6-(trifluoromethyl)-3-pyridinyl]amino]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3-[(4-hydroxyphenyl)methylamino]-5-[[6-(trifluoromethyl)-3-pyridinyl]amino]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3-[(4-hydroxyphenyl)methylamino]-5-[[6-(trifluoromethyl)-3-pyridinyl]amino]-1H-pyrazole-4-carboxamide is NC(=O)c1c(NCc2ccc(O)cc2)n[nH]c1Nc1ccc(C(F)(F)F)nc1.
What is the InChIKey of 3-[(4-hydroxyphenyl)methylamino]-5-[[6-(trifluoromethyl)-3-pyridinyl]amino]-1H-pyrazole-4-carboxamide?
The InChIKey is GJHDGZFNHALHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N6O2/c18-17(19,20)12-6-3-10(8-22-12)24-16-13(14(21)28)15(25-26-16)23-7-9-1-4-11(27)5-2-9/h1-6,8,27H,7H2,(H2,21,28)(H3,23,24,25,26).
What are the key properties of 3-[(4-hydroxyphenyl)methylamino]-5-[[6-(trifluoromethyl)-3-pyridinyl]amino]-1H-pyrazole-4-carboxamide?
3-[(4-hydroxyphenyl)methylamino]-5-[[6-(trifluoromethyl)-3-pyridinyl]amino]-1H-pyrazole-4-carboxamide has a molecular weight of 392.34 g/mol, XLogP of 2.98, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hydroxyphenyl)methylamino]-5-[[6-(trifluoromethyl)-3-pyridinyl]amino]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 71765106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).