N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclohexanecarboxamide

C15H21ClF3N3O — CID 19326174

IUPACN-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclohexanecarboxamide
SMILESCc1c(Cl)c(C(F)(F)F)nn1CCCNC(=O)C1CCCCC1
InChIInChI=1S/C15H21ClF3N3O/c1-10-12(16)13(15(17,18)19)21-22(10)9-5-8-20-14(23)11-6-3-2-4-7-11/h11H,2-9H2,1H3,(H,20,23)
InChIKeyALENGSJHYASUEI-UHFFFAOYSA-N
MW351.80 g/mol
LogP3.95
Rot. Bonds5

About N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclohexanecarboxamide

N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclohexanecarboxamide (PubChem CID 19326174) has the molecular formula C15H21ClF3N3O and a molecular weight of 351.80 g/mol. Its IUPAC name is N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclohexanecarboxamide
PubChem CID19326174
Molecular FormulaC15H21ClF3N3O
Molecular Weight351.80 g/mol
Exact Mass351.13
IUPAC NameN-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclohexanecarboxamide
SMILESCc1c(Cl)c(C(F)(F)F)nn1CCCNC(=O)C1CCCCC1
InChIInChI=1S/C15H21ClF3N3O/c1-10-12(16)13(15(17,18)19)21-22(10)9-5-8-20-14(23)11-6-3-2-4-7-11/h11H,2-9H2,1H3,(H,20,23)
InChIKeyALENGSJHYASUEI-UHFFFAOYSA-N
XLogP3.95
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.80
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-{3-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propyl}cyclopentanecarboxamide
CID 2970594
N-[3-(trifluoromethyl)cyclohexyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 47018724
N-(2,2,2-trifluoroethyl)-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanamide
CID 49670390
2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
CID 4769938
3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cyclohexylpropanamide
CID 4770346
2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 4771104
2-[4-Chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-YL]-N-isobutylpropanamide
CID 4771347
N-(butan-2-yl)-2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanamide
CID 4771758
N-{3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propyl}-3,5-dimethyl-1-adamantanecarboxamide
CID 3461116
3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-cyclopentylpropanamide
CID 4769114
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-cyclohexylacetamide
CID 4769589
2-[4-Chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-YL]-N-isopropylpropanamide
CID 4770023

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclohexanecarboxamide?
The IUPAC name of N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclohexanecarboxamide (CID 19326174) is N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclohexanecarboxamide?
The canonical SMILES for N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclohexanecarboxamide is Cc1c(Cl)c(C(F)(F)F)nn1CCCNC(=O)C1CCCCC1.
What is the InChIKey of N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclohexanecarboxamide?
The InChIKey is ALENGSJHYASUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClF3N3O/c1-10-12(16)13(15(17,18)19)21-22(10)9-5-8-20-14(23)11-6-3-2-4-7-11/h11H,2-9H2,1H3,(H,20,23).
What are the key properties of N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclohexanecarboxamide?
N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclohexanecarboxamide has a molecular weight of 351.80 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclohexanecarboxamide is sourced from PubChem (CID 19326174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).