3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)cyclohexyl]propanamide

C19H30F3N3O — CID 36820867

IUPAC3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)cyclohexyl]propanamide
SMILESCc1nn(CC(C)C)c(C)c1CCC(=O)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C19H30F3N3O/c1-12(2)11-25-14(4)17(13(3)24-25)9-10-18(26)23-16-7-5-15(6-8-16)19(20,21)22/h12,15-16H,5-11H2,1-4H3,(H,23,26)
InChIKeyHJPXWHLGZATJFD-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.33
Rot. Bonds6

About 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)cyclohexyl]propanamide

3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)cyclohexyl]propanamide (PubChem CID 36820867) has the molecular formula C19H30F3N3O and a molecular weight of 373.46 g/mol. Its IUPAC name is 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)cyclohexyl]propanamide.

Molecular Properties

Compound Name3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)cyclohexyl]propanamide
PubChem CID36820867
Molecular FormulaC19H30F3N3O
Molecular Weight373.46 g/mol
Exact Mass373.23
IUPAC Name3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)cyclohexyl]propanamide
SMILESCc1nn(CC(C)C)c(C)c1CCC(=O)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C19H30F3N3O/c1-12(2)11-25-14(4)17(13(3)24-25)9-10-18(26)23-16-7-5-15(6-8-16)19(20,21)22/h12,15-16H,5-11H2,1-4H3,(H,23,26)
InChIKeyHJPXWHLGZATJFD-UHFFFAOYSA-N
XLogP4.33
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)cyclohexyl]propanamide?
The IUPAC name of 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)cyclohexyl]propanamide (CID 36820867) is 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)cyclohexyl]propanamide.
What is the SMILES notation for 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)cyclohexyl]propanamide?
The canonical SMILES for 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)cyclohexyl]propanamide is Cc1nn(CC(C)C)c(C)c1CCC(=O)NC1CCC(C(F)(F)F)CC1.
What is the InChIKey of 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)cyclohexyl]propanamide?
The InChIKey is HJPXWHLGZATJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30F3N3O/c1-12(2)11-25-14(4)17(13(3)24-25)9-10-18(26)23-16-7-5-15(6-8-16)19(20,21)22/h12,15-16H,5-11H2,1-4H3,(H,23,26).
What are the key properties of 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)cyclohexyl]propanamide?
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)cyclohexyl]propanamide has a molecular weight of 373.46 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)cyclohexyl]propanamide is sourced from PubChem (CID 36820867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).