4-chloro-N,N-dicyclohexyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

C18H25ClF3N3O — CID 4768045

IUPAC4-chloro-N,N-dicyclohexyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCn1nc(C(F)(F)F)c(Cl)c1C(=O)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C18H25ClF3N3O/c1-24-15(14(19)16(23-24)18(20,21)22)17(26)25(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h12-13H,2-11H2,1H3
InChIKeyLTILGRDPFUPOML-UHFFFAOYSA-N
MW391.87 g/mol
LogP5.20
Rot. Bonds3

About 4-chloro-N,N-dicyclohexyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

4-chloro-N,N-dicyclohexyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 4768045) has the molecular formula C18H25ClF3N3O and a molecular weight of 391.87 g/mol. Its IUPAC name is 4-chloro-N,N-dicyclohexyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N,N-dicyclohexyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID4768045
Molecular FormulaC18H25ClF3N3O
Molecular Weight391.87 g/mol
Exact Mass391.16
IUPAC Name4-chloro-N,N-dicyclohexyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCn1nc(C(F)(F)F)c(Cl)c1C(=O)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C18H25ClF3N3O/c1-24-15(14(19)16(23-24)18(20,21)22)17(26)25(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h12-13H,2-11H2,1H3
InChIKeyLTILGRDPFUPOML-UHFFFAOYSA-N
XLogP5.20
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.87
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)carbonyl]azepane
CID 844749
(4-Chloro-1,5-dimethylpyrazol-3-yl)-pyrrolidin-1-ylmethanone
CID 841673
4-chloro-N-cyclopentyl-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 4768561
4-chloro-N,N-dicyclohexyl-1-methyl-1H-pyrazole-5-carboxamide
CID 4768055
4-chloro-N-cyclopentyl-1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 4768527
4-chloro-N-cyclooctyl-1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 4769852
4-chloro-N-cyclohexyl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 4769853
4-chloro-N-cycloheptyl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 4769854
4-Chloro-1,5-dimethylpyrazol-3-yl piperidyl ketone
CID 19578022
4-chloro-1-methyl-N-[(3R)-pyrrolidin-3-yl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 74249066
4-chloro-1,3-dimethyl-N-[(2S)-1-(methylamino)-1-oxopentan-2-yl]pyrazole-5-carboxamide
CID 99948136
(4-Chloro-1,5-dimethylpyrazol-3-yl)-(2,3-dimethylpiperazin-1-yl)methanone
CID 128923183

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-dicyclohexyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N,N-dicyclohexyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 4768045) is 4-chloro-N,N-dicyclohexyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N,N-dicyclohexyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N,N-dicyclohexyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is Cn1nc(C(F)(F)F)c(Cl)c1C(=O)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 4-chloro-N,N-dicyclohexyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is LTILGRDPFUPOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClF3N3O/c1-24-15(14(19)16(23-24)18(20,21)22)17(26)25(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h12-13H,2-11H2,1H3.
What are the key properties of 4-chloro-N,N-dicyclohexyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
4-chloro-N,N-dicyclohexyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 391.87 g/mol, XLogP of 5.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-dicyclohexyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 4768045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).