2-amino-N-(1-pyridin-2-ylpyrazol-4-yl)-5-(trifluoromethyl)benzamide

C16H12F3N5O — CID 118427664

IUPAC2-amino-N-(1-pyridin-2-ylpyrazol-4-yl)-5-(trifluoromethyl)benzamide
SMILESNc1ccc(C(F)(F)F)cc1C(=O)Nc1cnn(-c2ccccn2)c1
InChIInChI=1S/C16H12F3N5O/c17-16(18,19)10-4-5-13(20)12(7-10)15(25)23-11-8-22-24(9-11)14-3-1-2-6-21-14/h1-9H,20H2,(H,23,25)
InChIKeyOOCRCMMIUKROTB-UHFFFAOYSA-N
MW347.30 g/mol
LogP3.12
Rot. Bonds3

About 2-amino-N-(1-pyridin-2-ylpyrazol-4-yl)-5-(trifluoromethyl)benzamide

2-amino-N-(1-pyridin-2-ylpyrazol-4-yl)-5-(trifluoromethyl)benzamide (PubChem CID 118427664) has the molecular formula C16H12F3N5O and a molecular weight of 347.30 g/mol. Its IUPAC name is 2-amino-N-(1-pyridin-2-ylpyrazol-4-yl)-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-amino-N-(1-pyridin-2-ylpyrazol-4-yl)-5-(trifluoromethyl)benzamide
PubChem CID118427664
Molecular FormulaC16H12F3N5O
Molecular Weight347.30 g/mol
Exact Mass347.10
IUPAC Name2-amino-N-(1-pyridin-2-ylpyrazol-4-yl)-5-(trifluoromethyl)benzamide
SMILESNc1ccc(C(F)(F)F)cc1C(=O)Nc1cnn(-c2ccccn2)c1
InChIInChI=1S/C16H12F3N5O/c17-16(18,19)10-4-5-13(20)12(7-10)15(25)23-11-8-22-24(9-11)14-3-1-2-6-21-14/h1-9H,20H2,(H,23,25)
InChIKeyOOCRCMMIUKROTB-UHFFFAOYSA-N
XLogP3.12
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.30
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-N-(1-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide
CID 75510958
N-(1-pyridin-2-ylpyrazol-4-yl)-4-(trifluoromethyl)benzenesulfonamide
CID 166211989
1-methyl-N-(1-pyridin-2-ylpyrazol-4-yl)triazole-4-carboxamide
CID 110471594
N-(4-bromophenyl)-1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 31972467
N-[2-amino-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 16777614
N-[1-[(1R)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]pyridine-2-carboxamide
CID 147607996
N-pyridazin-4-yl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 45256977
1-[(3-chloro-4-fluorophenyl)methyl]-3-(1-pyridin-2-ylpyrazol-4-yl)urea
CID 155950936
2-(4-pyridin-4-ylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 71694646
2-bromo-N-(2-bromo-3-pyridinyl)-5-(trifluoromethyl)benzamide
CID 103819418
2-amino-N-(thiatriazol-5-yl)-5-(trifluoromethyl)benzamide
CID 114914384
2-bromo-N-(6-fluoro-3-pyridinyl)-5-(trifluoromethyl)benzamide
CID 103819052

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-pyridin-2-ylpyrazol-4-yl)-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-amino-N-(1-pyridin-2-ylpyrazol-4-yl)-5-(trifluoromethyl)benzamide (CID 118427664) is 2-amino-N-(1-pyridin-2-ylpyrazol-4-yl)-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-amino-N-(1-pyridin-2-ylpyrazol-4-yl)-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-amino-N-(1-pyridin-2-ylpyrazol-4-yl)-5-(trifluoromethyl)benzamide is Nc1ccc(C(F)(F)F)cc1C(=O)Nc1cnn(-c2ccccn2)c1.
What is the InChIKey of 2-amino-N-(1-pyridin-2-ylpyrazol-4-yl)-5-(trifluoromethyl)benzamide?
The InChIKey is OOCRCMMIUKROTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N5O/c17-16(18,19)10-4-5-13(20)12(7-10)15(25)23-11-8-22-24(9-11)14-3-1-2-6-21-14/h1-9H,20H2,(H,23,25).
What are the key properties of 2-amino-N-(1-pyridin-2-ylpyrazol-4-yl)-5-(trifluoromethyl)benzamide?
2-amino-N-(1-pyridin-2-ylpyrazol-4-yl)-5-(trifluoromethyl)benzamide has a molecular weight of 347.30 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-pyridin-2-ylpyrazol-4-yl)-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 118427664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).