N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazole-5-carboxamide

C19H15F3N4O2 — CID 66619964

IUPACN-[4-cyano-3-(trifluoromethyl)phenyl]-3-(2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazole-5-carboxamide
SMILESCC1(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC(c2ccccc2O)N=N1
InChIInChI=1S/C19H15F3N4O2/c1-18(9-15(25-26-18)13-4-2-3-5-16(13)27)17(28)24-12-7-6-11(10-23)14(8-12)19(20,21)22/h2-8,15,27H,9H2,1H3,(H,24,28)
InChIKeyFULISVMTSGGZKQ-UHFFFAOYSA-N
MW388.35 g/mol
LogP4.58
Rot. Bonds3

About N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazole-5-carboxamide

N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazole-5-carboxamide (PubChem CID 66619964) has the molecular formula C19H15F3N4O2 and a molecular weight of 388.35 g/mol. Its IUPAC name is N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-cyano-3-(trifluoromethyl)phenyl]-3-(2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazole-5-carboxamide
PubChem CID66619964
Molecular FormulaC19H15F3N4O2
Molecular Weight388.35 g/mol
Exact Mass388.11
IUPAC NameN-[4-cyano-3-(trifluoromethyl)phenyl]-3-(2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazole-5-carboxamide
SMILESCC1(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC(c2ccccc2O)N=N1
InChIInChI=1S/C19H15F3N4O2/c1-18(9-15(25-26-18)13-4-2-3-5-16(13)27)17(28)24-12-7-6-11(10-23)14(8-12)19(20,21)22/h2-8,15,27H,9H2,1H3,(H,24,28)
InChIKeyFULISVMTSGGZKQ-UHFFFAOYSA-N
XLogP4.58
TPSA97.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.35
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)-5-methyl-3,4-dihydropyrazole-5-carboxamide
CID 16757068
N-[4-cyano-3-(trifluoromethyl)phenyl]-3,5-dimethyl-2,4-dihydropyrrole-3-carboxamide
CID 157177699
N-[4-cyano-3-(trifluoromethyl)phenyl]-3-methyl-5-(trifluoromethyl)-3,4-dihydropyrazole-5-carboxamide
CID 87077785
N-[4-cyano-3-(trifluoromethyl)phenyl]-3-ethyl-5-methyl-1,4-dihydropyrazole-5-carboxamide
CID 16756515
N-[4-cyano-3-(trifluoromethyl)phenyl]-4-methyl-2-oxo-1-phenylimidazolidine-4-carboxamide
CID 11696738
3-amino-N-[4-cyano-3-(trifluoromethyl)phenyl]oxolane-3-carboxamide
CID 65485523
3-(4-ethylphenyl)-N-[4-isocyano-3-(trifluoromethyl)phenyl]-5-methyl-3,4-dihydropyrazole-5-carboxamide
CID 90994022
N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-methoxyphenyl)-5-methyl-1,4-dihydropyrazole-5-carboxamide
CID 71045740
(2S)-3-bromo-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxypropanamide
CID 130368990
N-[4-cyano-3-(trifluoromethyl)phenyl]-5-(ethylsulfanylmethyl)-3-methylpyrazolidine-3-carboxamide
CID 143231336
N-[4-cyano-3-(trifluoromethyl)phenyl]-3-methylbut-2-enamide
CID 169069663
2-(azetidin-3-yl)-N-[4-cyano-3-(trifluoromethyl)phenyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazole-5-carboxamide?
The IUPAC name of N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazole-5-carboxamide (CID 66619964) is N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazole-5-carboxamide.
What is the SMILES notation for N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazole-5-carboxamide?
The canonical SMILES for N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazole-5-carboxamide is CC1(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC(c2ccccc2O)N=N1.
What is the InChIKey of N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazole-5-carboxamide?
The InChIKey is FULISVMTSGGZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O2/c1-18(9-15(25-26-18)13-4-2-3-5-16(13)27)17(28)24-12-7-6-11(10-23)14(8-12)19(20,21)22/h2-8,15,27H,9H2,1H3,(H,24,28).
What are the key properties of N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazole-5-carboxamide?
N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazole-5-carboxamide has a molecular weight of 388.35 g/mol, XLogP of 4.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazole-5-carboxamide is sourced from PubChem (CID 66619964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).