3-(dimethylamino)-4-phenyl-N-[3-(trifluoromethyl)phenyl]pyrazole-1-carboxamide

C19H17F3N4O — CID 1473148

IUPAC3-(dimethylamino)-4-phenyl-N-[3-(trifluoromethyl)phenyl]pyrazole-1-carboxamide
SMILESCN(C)c1nn(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1ccccc1
InChIInChI=1S/C19H17F3N4O/c1-25(2)17-16(13-7-4-3-5-8-13)12-26(24-17)18(27)23-15-10-6-9-14(11-15)19(20,21)22/h3-12H,1-2H3,(H,23,27)
InChIKeyCGLIIYBBCMOVFY-UHFFFAOYSA-N
MW374.37 g/mol
LogP4.72
Rot. Bonds3

About 3-(dimethylamino)-4-phenyl-N-[3-(trifluoromethyl)phenyl]pyrazole-1-carboxamide

3-(dimethylamino)-4-phenyl-N-[3-(trifluoromethyl)phenyl]pyrazole-1-carboxamide (PubChem CID 1473148) has the molecular formula C19H17F3N4O and a molecular weight of 374.37 g/mol. Its IUPAC name is 3-(dimethylamino)-4-phenyl-N-[3-(trifluoromethyl)phenyl]pyrazole-1-carboxamide.

Molecular Properties

Compound Name3-(dimethylamino)-4-phenyl-N-[3-(trifluoromethyl)phenyl]pyrazole-1-carboxamide
PubChem CID1473148
Molecular FormulaC19H17F3N4O
Molecular Weight374.37 g/mol
Exact Mass374.14
IUPAC Name3-(dimethylamino)-4-phenyl-N-[3-(trifluoromethyl)phenyl]pyrazole-1-carboxamide
SMILESCN(C)c1nn(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1ccccc1
InChIInChI=1S/C19H17F3N4O/c1-25(2)17-16(13-7-4-3-5-8-13)12-26(24-17)18(27)23-15-10-6-9-14(11-15)19(20,21)22/h3-12H,1-2H3,(H,23,27)
InChIKeyCGLIIYBBCMOVFY-UHFFFAOYSA-N
XLogP4.72
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Fluorophenyl)-3-[4-(4-fluorophenyl)-2-methyl-5-(trifluoromethyl)-3-pyrazolyl]urea
CID 2810695
N-(3,5-dimethylphenyl)-N'-{4-[3-(trifluoromethyl)-1H-pyrazol-1-yl]phenyl}urea
CID 2812810
N-(3,5-dimethylphenyl)-N'-(1-methyl-3-phenyl-1H-pyrazol-5-yl)urea
CID 2815275
N-(2-fluorophenyl)-N'-(1-methyl-3-phenyl-1H-pyrazol-5-yl)urea
CID 2815489
N-(2,4-dichlorophenyl)-3-(dimethylamino)-4-phenyl-1H-pyrazole-1-carboxamide
CID 1473146
1-(2,4-Difluorophenyl)-3-[4-(4-fluorophenyl)-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]urea
CID 2810118
1-[4-(4-Fluorophenyl)-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-3-phenyl-urea
CID 2810694
1-(4-Fluorophenyl)-3-[2-methyl-5-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]urea
CID 2810697
1-(2-Benzyl-5-methylpyrazol-3-yl)-3-(3,4-difluorophenyl)urea
CID 48750778
4-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-amine
CID 2764851
4-phenyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-amine
CID 4315883
1-Biphenyl-3-yl-3-(5-tert-butyl-2-methyl-2H-pyrazol-3-yl)-urea
CID 44304594

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-4-phenyl-N-[3-(trifluoromethyl)phenyl]pyrazole-1-carboxamide?
The IUPAC name of 3-(dimethylamino)-4-phenyl-N-[3-(trifluoromethyl)phenyl]pyrazole-1-carboxamide (CID 1473148) is 3-(dimethylamino)-4-phenyl-N-[3-(trifluoromethyl)phenyl]pyrazole-1-carboxamide.
What is the SMILES notation for 3-(dimethylamino)-4-phenyl-N-[3-(trifluoromethyl)phenyl]pyrazole-1-carboxamide?
The canonical SMILES for 3-(dimethylamino)-4-phenyl-N-[3-(trifluoromethyl)phenyl]pyrazole-1-carboxamide is CN(C)c1nn(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1ccccc1.
What is the InChIKey of 3-(dimethylamino)-4-phenyl-N-[3-(trifluoromethyl)phenyl]pyrazole-1-carboxamide?
The InChIKey is CGLIIYBBCMOVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O/c1-25(2)17-16(13-7-4-3-5-8-13)12-26(24-17)18(27)23-15-10-6-9-14(11-15)19(20,21)22/h3-12H,1-2H3,(H,23,27).
What are the key properties of 3-(dimethylamino)-4-phenyl-N-[3-(trifluoromethyl)phenyl]pyrazole-1-carboxamide?
3-(dimethylamino)-4-phenyl-N-[3-(trifluoromethyl)phenyl]pyrazole-1-carboxamide has a molecular weight of 374.37 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-4-phenyl-N-[3-(trifluoromethyl)phenyl]pyrazole-1-carboxamide is sourced from PubChem (CID 1473148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).