[4-methyl-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone

C18H26F3N3O — CID 155710597

IUPAC[4-methyl-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone
SMILESCC(C)Cc1cnn(C2(C)CCN(C(=O)C3(C(F)(F)F)CC3)CC2)c1
InChIInChI=1S/C18H26F3N3O/c1-13(2)10-14-11-22-24(12-14)16(3)6-8-23(9-7-16)15(25)17(4-5-17)18(19,20)21/h11-13H,4-10H2,1-3H3
InChIKeyRIJTYEPVCCPMBS-UHFFFAOYSA-N
MW357.42 g/mol
LogP3.76
Rot. Bonds4

About [4-methyl-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone

[4-methyl-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone (PubChem CID 155710597) has the molecular formula C18H26F3N3O and a molecular weight of 357.42 g/mol. Its IUPAC name is [4-methyl-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone.

Molecular Properties

Compound Name[4-methyl-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone
PubChem CID155710597
Molecular FormulaC18H26F3N3O
Molecular Weight357.42 g/mol
Exact Mass357.20
IUPAC Name[4-methyl-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone
SMILESCC(C)Cc1cnn(C2(C)CCN(C(=O)C3(C(F)(F)F)CC3)CC2)c1
InChIInChI=1S/C18H26F3N3O/c1-13(2)10-14-11-22-24(12-14)16(3)6-8-23(9-7-16)15(25)17(4-5-17)18(19,20)21/h11-13H,4-10H2,1-3H3
InChIKeyRIJTYEPVCCPMBS-UHFFFAOYSA-N
XLogP3.76
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone?
The IUPAC name of [4-methyl-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone (CID 155710597) is [4-methyl-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone.
What is the SMILES notation for [4-methyl-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone?
The canonical SMILES for [4-methyl-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone is CC(C)Cc1cnn(C2(C)CCN(C(=O)C3(C(F)(F)F)CC3)CC2)c1.
What is the InChIKey of [4-methyl-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone?
The InChIKey is RIJTYEPVCCPMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F3N3O/c1-13(2)10-14-11-22-24(12-14)16(3)6-8-23(9-7-16)15(25)17(4-5-17)18(19,20)21/h11-13H,4-10H2,1-3H3.
What are the key properties of [4-methyl-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone?
[4-methyl-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone has a molecular weight of 357.42 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone is sourced from PubChem (CID 155710597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).