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

C17H14F3N5O2 — CID 122640606

IUPAC5-amino-1-(2-hydroxyphenyl)-3-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
SMILESCc1nn(-c2ccccc2O)c(N)c1C(=O)Nc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C17H14F3N5O2/c1-9-14(15(21)25(24-9)11-4-2-3-5-12(11)26)16(27)23-13-7-6-10(8-22-13)17(18,19)20/h2-8,26H,21H2,1H3,(H,22,23,27)
InChIKeyNCXQXBWQZULQMZ-UHFFFAOYSA-N
MW377.33 g/mol
LogP3.13
Rot. Bonds3

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

5-amino-1-(2-hydroxyphenyl)-3-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide (PubChem CID 122640606) has the molecular formula C17H14F3N5O2 and a molecular weight of 377.33 g/mol. Its IUPAC name is 5-amino-1-(2-hydroxyphenyl)-3-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-(2-hydroxyphenyl)-3-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
PubChem CID122640606
Molecular FormulaC17H14F3N5O2
Molecular Weight377.33 g/mol
Exact Mass377.11
IUPAC Name5-amino-1-(2-hydroxyphenyl)-3-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
SMILESCc1nn(-c2ccccc2O)c(N)c1C(=O)Nc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C17H14F3N5O2/c1-9-14(15(21)25(24-9)11-4-2-3-5-12(11)26)16(27)23-13-7-6-10(8-22-13)17(18,19)20/h2-8,26H,21H2,1H3,(H,22,23,27)
InChIKeyNCXQXBWQZULQMZ-UHFFFAOYSA-N
XLogP3.13
TPSA106.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.33
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-amino-1-(2-hydroxyphenyl)-3-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]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 5-amino-1-(2-hydroxyphenyl)-3-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-(2-hydroxyphenyl)-3-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide (CID 122640606) is 5-amino-1-(2-hydroxyphenyl)-3-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-(2-hydroxyphenyl)-3-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-(2-hydroxyphenyl)-3-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide is Cc1nn(-c2ccccc2O)c(N)c1C(=O)Nc1ccc(C(F)(F)F)cn1.
What is the InChIKey of 5-amino-1-(2-hydroxyphenyl)-3-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The InChIKey is NCXQXBWQZULQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N5O2/c1-9-14(15(21)25(24-9)11-4-2-3-5-12(11)26)16(27)23-13-7-6-10(8-22-13)17(18,19)20/h2-8,26H,21H2,1H3,(H,22,23,27).
What are the key properties of 5-amino-1-(2-hydroxyphenyl)-3-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
5-amino-1-(2-hydroxyphenyl)-3-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide has a molecular weight of 377.33 g/mol, XLogP of 3.13, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2-hydroxyphenyl)-3-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide is sourced from PubChem (CID 122640606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).