[1-(4-methylcyclohexyl)-5-(trifluoromethyl)pyrazol-4-yl]-pyrrolidin-1-ylmethanone

C16H22F3N3O — CID 134466124

IUPAC[1-(4-methylcyclohexyl)-5-(trifluoromethyl)pyrazol-4-yl]-pyrrolidin-1-ylmethanone
SMILESCC1CCC(n2ncc(C(=O)N3CCCC3)c2C(F)(F)F)CC1
InChIInChI=1S/C16H22F3N3O/c1-11-4-6-12(7-5-11)22-14(16(17,18)19)13(10-20-22)15(23)21-8-2-3-9-21/h10-12H,2-9H2,1H3
InChIKeyAIMXVQLKAWZOGW-UHFFFAOYSA-N
MW329.37 g/mol
LogP3.89
Rot. Bonds2

About [1-(4-methylcyclohexyl)-5-(trifluoromethyl)pyrazol-4-yl]-pyrrolidin-1-ylmethanone

[1-(4-methylcyclohexyl)-5-(trifluoromethyl)pyrazol-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 134466124) has the molecular formula C16H22F3N3O and a molecular weight of 329.37 g/mol. Its IUPAC name is [1-(4-methylcyclohexyl)-5-(trifluoromethyl)pyrazol-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(4-methylcyclohexyl)-5-(trifluoromethyl)pyrazol-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID134466124
Molecular FormulaC16H22F3N3O
Molecular Weight329.37 g/mol
Exact Mass329.17
IUPAC Name[1-(4-methylcyclohexyl)-5-(trifluoromethyl)pyrazol-4-yl]-pyrrolidin-1-ylmethanone
SMILESCC1CCC(n2ncc(C(=O)N3CCCC3)c2C(F)(F)F)CC1
InChIInChI=1S/C16H22F3N3O/c1-11-4-6-12(7-5-11)22-14(16(17,18)19)13(10-20-22)15(23)21-8-2-3-9-21/h10-12H,2-9H2,1H3
InChIKeyAIMXVQLKAWZOGW-UHFFFAOYSA-N
XLogP3.89
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(4-methylcyclohexyl)-5-(trifluoromethyl)pyrazol-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-(4-methylcyclohexyl)-5-(trifluoromethyl)pyrazol-4-yl]-pyrrolidin-1-ylmethanone (CID 134466124) is [1-(4-methylcyclohexyl)-5-(trifluoromethyl)pyrazol-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-(4-methylcyclohexyl)-5-(trifluoromethyl)pyrazol-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-(4-methylcyclohexyl)-5-(trifluoromethyl)pyrazol-4-yl]-pyrrolidin-1-ylmethanone is CC1CCC(n2ncc(C(=O)N3CCCC3)c2C(F)(F)F)CC1.
What is the InChIKey of [1-(4-methylcyclohexyl)-5-(trifluoromethyl)pyrazol-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is AIMXVQLKAWZOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N3O/c1-11-4-6-12(7-5-11)22-14(16(17,18)19)13(10-20-22)15(23)21-8-2-3-9-21/h10-12H,2-9H2,1H3.
What are the key properties of [1-(4-methylcyclohexyl)-5-(trifluoromethyl)pyrazol-4-yl]-pyrrolidin-1-ylmethanone?
[1-(4-methylcyclohexyl)-5-(trifluoromethyl)pyrazol-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 329.37 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methylcyclohexyl)-5-(trifluoromethyl)pyrazol-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 134466124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).