2-methyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]-5-(trifluoromethyl)-1,5-dihydropyrazole-4-carboxamide

C18H30F3N3O — CID 143239255

IUPAC2-methyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]-5-(trifluoromethyl)-1,5-dihydropyrazole-4-carboxamide
SMILESCC(C)CC(C)C1CCCCC1NC(=O)C1=CN(C)NC1C(F)(F)F
InChIInChI=1S/C18H30F3N3O/c1-11(2)9-12(3)13-7-5-6-8-15(13)22-17(25)14-10-24(4)23-16(14)18(19,20)21/h10-13,15-16,23H,5-9H2,1-4H3,(H,22,25)
InChIKeyLGKJJGHEMPIDEC-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.61
Rot. Bonds5

About 2-methyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]-5-(trifluoromethyl)-1,5-dihydropyrazole-4-carboxamide

2-methyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]-5-(trifluoromethyl)-1,5-dihydropyrazole-4-carboxamide (PubChem CID 143239255) has the molecular formula C18H30F3N3O and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-methyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]-5-(trifluoromethyl)-1,5-dihydropyrazole-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]-5-(trifluoromethyl)-1,5-dihydropyrazole-4-carboxamide
PubChem CID143239255
Molecular FormulaC18H30F3N3O
Molecular Weight361.45 g/mol
Exact Mass361.23
IUPAC Name2-methyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]-5-(trifluoromethyl)-1,5-dihydropyrazole-4-carboxamide
SMILESCC(C)CC(C)C1CCCCC1NC(=O)C1=CN(C)NC1C(F)(F)F
InChIInChI=1S/C18H30F3N3O/c1-11(2)9-12(3)13-7-5-6-8-15(13)22-17(25)14-10-24(4)23-16(14)18(19,20)21/h10-13,15-16,23H,5-9H2,1-4H3,(H,22,25)
InChIKeyLGKJJGHEMPIDEC-UHFFFAOYSA-N
XLogP3.61
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]-5-(trifluoromethyl)-1,5-dihydropyrazole-4-carboxamide?
The IUPAC name of 2-methyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]-5-(trifluoromethyl)-1,5-dihydropyrazole-4-carboxamide (CID 143239255) is 2-methyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]-5-(trifluoromethyl)-1,5-dihydropyrazole-4-carboxamide.
What is the SMILES notation for 2-methyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]-5-(trifluoromethyl)-1,5-dihydropyrazole-4-carboxamide?
The canonical SMILES for 2-methyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]-5-(trifluoromethyl)-1,5-dihydropyrazole-4-carboxamide is CC(C)CC(C)C1CCCCC1NC(=O)C1=CN(C)NC1C(F)(F)F.
What is the InChIKey of 2-methyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]-5-(trifluoromethyl)-1,5-dihydropyrazole-4-carboxamide?
The InChIKey is LGKJJGHEMPIDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30F3N3O/c1-11(2)9-12(3)13-7-5-6-8-15(13)22-17(25)14-10-24(4)23-16(14)18(19,20)21/h10-13,15-16,23H,5-9H2,1-4H3,(H,22,25).
What are the key properties of 2-methyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]-5-(trifluoromethyl)-1,5-dihydropyrazole-4-carboxamide?
2-methyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]-5-(trifluoromethyl)-1,5-dihydropyrazole-4-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]-5-(trifluoromethyl)-1,5-dihydropyrazole-4-carboxamide is sourced from PubChem (CID 143239255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).