4-methyl-N-(4-morpholin-2-ylphenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

C16H17F3N4O2 — CID 164898260

IUPAC4-methyl-N-(4-morpholin-2-ylphenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESCc1c(C(=O)Nc2ccc(C3CNCCO3)cc2)n[nH]c1C(F)(F)F
InChIInChI=1S/C16H17F3N4O2/c1-9-13(22-23-14(9)16(17,18)19)15(24)21-11-4-2-10(3-5-11)12-8-20-6-7-25-12/h2-5,12,20H,6-8H2,1H3,(H,21,24)(H,22,23)
InChIKeyYYIXXEYJSZIBKN-UHFFFAOYSA-N
MW354.33 g/mol
LogP2.65
Rot. Bonds3

About 4-methyl-N-(4-morpholin-2-ylphenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

4-methyl-N-(4-morpholin-2-ylphenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (PubChem CID 164898260) has the molecular formula C16H17F3N4O2 and a molecular weight of 354.33 g/mol. Its IUPAC name is 4-methyl-N-(4-morpholin-2-ylphenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(4-morpholin-2-ylphenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
PubChem CID164898260
Molecular FormulaC16H17F3N4O2
Molecular Weight354.33 g/mol
Exact Mass354.13
IUPAC Name4-methyl-N-(4-morpholin-2-ylphenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESCc1c(C(=O)Nc2ccc(C3CNCCO3)cc2)n[nH]c1C(F)(F)F
InChIInChI=1S/C16H17F3N4O2/c1-9-13(22-23-14(9)16(17,18)19)15(24)21-11-4-2-10(3-5-11)12-8-20-6-7-25-12/h2-5,12,20H,6-8H2,1H3,(H,21,24)(H,22,23)
InChIKeyYYIXXEYJSZIBKN-UHFFFAOYSA-N
XLogP2.65
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-methyl-N-(4-morpholin-2-ylphenyl)-5-(trifluoromethyl)-1H-pyrazole-3-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

5-cyclopropyl-4-methyl-N-(4-morpholin-2-ylphenyl)-1H-pyrazole-3-carboxamide
CID 164898264
bis(5-ethyl-4-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-1H-pyrazole-3-carboxamide);sulfuric acid
CID 175814665
N-[4-[(2S)-morpholin-2-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 56836053
4-chloro-5-methyl-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide
CID 118484454
tert-butyl N-(4-morpholin-2-ylphenyl)carbamate
CID 117446363
N-(4-morpholin-2-ylphenyl)-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazole-4-carboxamide
CID 90047286
4-chloro-2-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide
CID 130184022
3-(4-chlorophenyl)-N-(4-morpholin-2-ylphenyl)-1H-pyrazole-5-carboxamide
CID 71087529
2,6-dichloro-N-[4-[(2R)-morpholin-2-yl]phenyl]benzamide
CID 129387150
4-methoxy-N-(4-morpholin-2-ylphenyl)benzamide;hydrochloride
CID 67239468
3-(4-chlorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]-1H-pyrazole-5-carboxamide;hydrochloride
CID 71087692
4-formyl-N-(4-morpholin-2-ylphenyl)benzamide
CID 86673956

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-morpholin-2-ylphenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-methyl-N-(4-morpholin-2-ylphenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (CID 164898260) is 4-methyl-N-(4-morpholin-2-ylphenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-methyl-N-(4-morpholin-2-ylphenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-methyl-N-(4-morpholin-2-ylphenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is Cc1c(C(=O)Nc2ccc(C3CNCCO3)cc2)n[nH]c1C(F)(F)F.
What is the InChIKey of 4-methyl-N-(4-morpholin-2-ylphenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is YYIXXEYJSZIBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O2/c1-9-13(22-23-14(9)16(17,18)19)15(24)21-11-4-2-10(3-5-11)12-8-20-6-7-25-12/h2-5,12,20H,6-8H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 4-methyl-N-(4-morpholin-2-ylphenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
4-methyl-N-(4-morpholin-2-ylphenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 354.33 g/mol, XLogP of 2.65, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-morpholin-2-ylphenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 164898260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).