4-(7-hydroxynaphthalen-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

C16H12F3N3O2 — CID 167852231

IUPAC4-(7-hydroxynaphthalen-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCn1nc(C(F)(F)F)c(-c2ccc3ccc(O)cc3c2)c1C(N)=O
InChIInChI=1S/C16H12F3N3O2/c1-22-13(15(20)24)12(14(21-22)16(17,18)19)9-3-2-8-4-5-11(23)7-10(8)6-9/h2-7,23H,1H3,(H2,20,24)
InChIKeyKQIMZYRYHLBULP-UHFFFAOYSA-N
MW335.29 g/mol
LogP3.06
Rot. Bonds2

About 4-(7-hydroxynaphthalen-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

4-(7-hydroxynaphthalen-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 167852231) has the molecular formula C16H12F3N3O2 and a molecular weight of 335.29 g/mol. Its IUPAC name is 4-(7-hydroxynaphthalen-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(7-hydroxynaphthalen-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID167852231
Molecular FormulaC16H12F3N3O2
Molecular Weight335.29 g/mol
Exact Mass335.09
IUPAC Name4-(7-hydroxynaphthalen-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCn1nc(C(F)(F)F)c(-c2ccc3ccc(O)cc3c2)c1C(N)=O
InChIInChI=1S/C16H12F3N3O2/c1-22-13(15(20)24)12(14(21-22)16(17,18)19)9-3-2-8-4-5-11(23)7-10(8)6-9/h2-7,23H,1H3,(H2,20,24)
InChIKeyKQIMZYRYHLBULP-UHFFFAOYSA-N
XLogP3.06
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.29
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(7-hydroxynaphthalen-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N'-[(E)-(2-hydroxynaphthalen-1-yl)methylidene]-1-methyl-1H-pyrazole-5-carbohydrazide
CID 135550918
4-bromo-N'-[(2-hydroxy-1-naphthyl)methylene]-1,5-dimethyl-1H-pyrazole-3-carbohydrazide
CID 135533649
4-Iodo-1-methyl-1H-pyrazole-3-carboxylic acid (2-hydroxy-naphthalen-1-ylmethylene)-hydrazide
CID 135537502
4-[[3,5-dimethyl-4-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]-(3-hydroxyphenyl)methyl]-N,N-diethylbenzamide
CID 10301672
4-[[3,5-dimethyl-4-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]-(3-hydroxyphenyl)methyl]-N,N-diethylbenzamide
CID 22285741
4-[[4-[3,5-bis(trifluoromethyl)phenyl]-3,5-dimethylpyrazol-1-yl]-(3-hydroxyphenyl)methyl]-N,N-diethylbenzamide
CID 22285754
N-[[2-(dipropylamino)-5-(trifluoromethyl)pyrazol-3-yl]methyl]-2-(6-hydroxynaphthalen-2-yl)propanamide
CID 66644426
6-hydroxy-N,2-dimethyl-3-[1-[1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]-3,6-dihydro-2H-pyridin-4-yl]benzamide
CID 178632899
2-butan-2-yl-6-hydroxy-3-[1-[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]-3,6-dihydro-2H-pyridin-4-yl]benzaldehyde
CID 178633450
2-ethyl-6-hydroxy-3-[1-[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]-3,6-dihydro-2H-pyridin-4-yl]benzaldehyde
CID 178633701
4-(6-Methoxynaphthalen-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 166381537
6-[1-(Difluoromethyl)-3,5-dimethylpyrazol-4-yl]naphthalen-2-ol
CID 167935933

Frequently Asked Questions

What is the IUPAC name of 4-(7-hydroxynaphthalen-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 4-(7-hydroxynaphthalen-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 167852231) is 4-(7-hydroxynaphthalen-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-(7-hydroxynaphthalen-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-(7-hydroxynaphthalen-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is Cn1nc(C(F)(F)F)c(-c2ccc3ccc(O)cc3c2)c1C(N)=O.
What is the InChIKey of 4-(7-hydroxynaphthalen-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is KQIMZYRYHLBULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O2/c1-22-13(15(20)24)12(14(21-22)16(17,18)19)9-3-2-8-4-5-11(23)7-10(8)6-9/h2-7,23H,1H3,(H2,20,24).
What are the key properties of 4-(7-hydroxynaphthalen-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
4-(7-hydroxynaphthalen-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 335.29 g/mol, XLogP of 3.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-hydroxynaphthalen-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 167852231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).