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

C16H24F3N3O — CID 86797668

IUPAC3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(trifluoromethyl)cyclohexyl]butanamide
SMILESCc1n[nH]c(C)c1C(C)CC(=O)NC1CCCCC1C(F)(F)F
InChIInChI=1S/C16H24F3N3O/c1-9(15-10(2)21-22-11(15)3)8-14(23)20-13-7-5-4-6-12(13)16(17,18)19/h9,12-13H,4-8H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyAKJBOWOXHRIRKO-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.76
Rot. Bonds4

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

3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(trifluoromethyl)cyclohexyl]butanamide (PubChem CID 86797668) has the molecular formula C16H24F3N3O and a molecular weight of 331.38 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(trifluoromethyl)cyclohexyl]butanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(trifluoromethyl)cyclohexyl]butanamide
PubChem CID86797668
Molecular FormulaC16H24F3N3O
Molecular Weight331.38 g/mol
Exact Mass331.19
IUPAC Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(trifluoromethyl)cyclohexyl]butanamide
SMILESCc1n[nH]c(C)c1C(C)CC(=O)NC1CCCCC1C(F)(F)F
InChIInChI=1S/C16H24F3N3O/c1-9(15-10(2)21-22-11(15)3)8-14(23)20-13-7-5-4-6-12(13)16(17,18)19/h9,12-13H,4-8H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyAKJBOWOXHRIRKO-UHFFFAOYSA-N
XLogP3.76
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(trifluoromethyl)cyclohexyl]butanamide?
The IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(trifluoromethyl)cyclohexyl]butanamide (CID 86797668) is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(trifluoromethyl)cyclohexyl]butanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(trifluoromethyl)cyclohexyl]butanamide?
The canonical SMILES for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(trifluoromethyl)cyclohexyl]butanamide is Cc1n[nH]c(C)c1C(C)CC(=O)NC1CCCCC1C(F)(F)F.
What is the InChIKey of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(trifluoromethyl)cyclohexyl]butanamide?
The InChIKey is AKJBOWOXHRIRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3N3O/c1-9(15-10(2)21-22-11(15)3)8-14(23)20-13-7-5-4-6-12(13)16(17,18)19/h9,12-13H,4-8H2,1-3H3,(H,20,23)(H,21,22).
What are the key properties of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(trifluoromethyl)cyclohexyl]butanamide?
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(trifluoromethyl)cyclohexyl]butanamide has a molecular weight of 331.38 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(trifluoromethyl)cyclohexyl]butanamide is sourced from PubChem (CID 86797668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).