N-cyclohexyl-1-ethyl-5-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide

C19H22F3N3O — CID 46104689

IUPACN-cyclohexyl-1-ethyl-5-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
SMILESCCn1nc(C(=O)NC2CCCCC2)cc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H22F3N3O/c1-2-25-17(13-7-6-8-14(11-13)19(20,21)22)12-16(24-25)18(26)23-15-9-4-3-5-10-15/h6-8,11-12,15H,2-5,9-10H2,1H3,(H,23,26)
InChIKeyPQUDJUSEBJFESQ-UHFFFAOYSA-N
MW365.40 g/mol
LogP4.65
Rot. Bonds4

About N-cyclohexyl-1-ethyl-5-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide

N-cyclohexyl-1-ethyl-5-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide (PubChem CID 46104689) has the molecular formula C19H22F3N3O and a molecular weight of 365.40 g/mol. Its IUPAC name is N-cyclohexyl-1-ethyl-5-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-ethyl-5-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
PubChem CID46104689
Molecular FormulaC19H22F3N3O
Molecular Weight365.40 g/mol
Exact Mass365.17
IUPAC NameN-cyclohexyl-1-ethyl-5-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
SMILESCCn1nc(C(=O)NC2CCCCC2)cc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H22F3N3O/c1-2-25-17(13-7-6-8-14(11-13)19(20,21)22)12-16(24-25)18(26)23-15-9-4-3-5-10-15/h6-8,11-12,15H,2-5,9-10H2,1H3,(H,23,26)
InChIKeyPQUDJUSEBJFESQ-UHFFFAOYSA-N
XLogP4.65
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-1-ethyl-5-(3-methoxyphenyl)pyrazole-3-carboxamide
CID 46171136
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-ethyl-5-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 98639525
1-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 46104727
N-cyclopentyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide
CID 134792857
N-pyrrolidin-3-yl-4-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 168909107
5-amino-N-cyclopentyl-1-ethylpyrazole-3-carboxamide
CID 117215420
N-cyclopentyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 42690054
N-cyclohexyl-1-methyl-5-phenylpyrazole-3-carboxamide
CID 110336117
6-N-cyclohexyl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide
CID 109095374
N-cyclohexyl-1-ethyl-3-(3-fluorophenyl)pyrazole-5-carboxamide
CID 46105451
[1-ethyl-5-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-[4-(1-phenylethyl)piperazin-1-yl]methanone
CID 46104732
2-tert-butyl-N-cyclohexyl-7-(3-fluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 42877236

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-ethyl-5-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
The IUPAC name of N-cyclohexyl-1-ethyl-5-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide (CID 46104689) is N-cyclohexyl-1-ethyl-5-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-ethyl-5-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
The canonical SMILES for N-cyclohexyl-1-ethyl-5-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide is CCn1nc(C(=O)NC2CCCCC2)cc1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-cyclohexyl-1-ethyl-5-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
The InChIKey is PQUDJUSEBJFESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3O/c1-2-25-17(13-7-6-8-14(11-13)19(20,21)22)12-16(24-25)18(26)23-15-9-4-3-5-10-15/h6-8,11-12,15H,2-5,9-10H2,1H3,(H,23,26).
What are the key properties of N-cyclohexyl-1-ethyl-5-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
N-cyclohexyl-1-ethyl-5-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide has a molecular weight of 365.40 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-ethyl-5-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 46104689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).