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

C18H27F2N3O — CID 155710669

IUPAC[1-(difluoromethyl)cyclopropyl]-[4-methyl-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]methanone
SMILESCC(C)Cc1cnn(C2(C)CCN(C(=O)C3(C(F)F)CC3)CC2)c1
InChIInChI=1S/C18H27F2N3O/c1-13(2)10-14-11-21-23(12-14)17(3)6-8-22(9-7-17)16(24)18(4-5-18)15(19)20/h11-13,15H,4-10H2,1-3H3
InChIKeyZZLIUNVDRHQUEW-UHFFFAOYSA-N
MW339.43 g/mol
LogP3.46
Rot. Bonds5

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

[1-(difluoromethyl)cyclopropyl]-[4-methyl-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]methanone (PubChem CID 155710669) has the molecular formula C18H27F2N3O and a molecular weight of 339.43 g/mol. Its IUPAC name is [1-(difluoromethyl)cyclopropyl]-[4-methyl-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(difluoromethyl)cyclopropyl]-[4-methyl-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]methanone
PubChem CID155710669
Molecular FormulaC18H27F2N3O
Molecular Weight339.43 g/mol
Exact Mass339.21
IUPAC Name[1-(difluoromethyl)cyclopropyl]-[4-methyl-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]methanone
SMILESCC(C)Cc1cnn(C2(C)CCN(C(=O)C3(C(F)F)CC3)CC2)c1
InChIInChI=1S/C18H27F2N3O/c1-13(2)10-14-11-21-23(12-14)17(3)6-8-22(9-7-17)16(24)18(4-5-18)15(19)20/h11-13,15H,4-10H2,1-3H3
InChIKeyZZLIUNVDRHQUEW-UHFFFAOYSA-N
XLogP3.46
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.43
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [1-(difluoromethyl)cyclopropyl]-[4-methyl-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]methanone with MolForge

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Related Compounds

3-fluoro-2,2-dimethyl-1-[4-methyl-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one
CID 155207530
1-bicyclo[1.1.1]pentanyl-[4-(4-ethylpyrazol-1-yl)-4-methylpiperidin-1-yl]methanone
CID 155207556
1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazole-4-carbaldehyde
CID 155470315
4-methyl-4-(4-propylpyrazol-1-yl)-1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidine
CID 155207501
ethane;(1-methylcyclobutyl)-[4-[4-(2-methylpropyl)phenyl]piperazin-1-yl]methanone
CID 155710492
1-azabicyclo[2.2.2]octan-4-yl-(4-methyl-4-pyrazol-1-ylpiperidin-1-yl)methanone
CID 175762790
(4-methylpiperazin-1-yl)-(1-propan-2-ylcyclopropyl)methanone
CID 58584463
methane;4-(2-methylpropyl)-1-propan-2-ylpyrazole
CID 159150030
[1-(difluoromethyl)cyclopropyl]-(2-methyl-2-phenylmorpholin-4-yl)methanone
CID 126817191
4-[1-(difluoromethyl)pyrazol-4-yl]-3-methylbutan-2-one
CID 178057972
1-[(2R)-3-methylbutan-2-yl]-4-(2-methylpropyl)pyrazole
CID 153444612
3-[1-(3-methyl-1,1-dioxothiolan-3-yl)pyrazol-4-yl]propan-1-amine
CID 55111824

Frequently Asked Questions

What is the IUPAC name of [1-(difluoromethyl)cyclopropyl]-[4-methyl-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]methanone?
The IUPAC name of [1-(difluoromethyl)cyclopropyl]-[4-methyl-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]methanone (CID 155710669) is [1-(difluoromethyl)cyclopropyl]-[4-methyl-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for [1-(difluoromethyl)cyclopropyl]-[4-methyl-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for [1-(difluoromethyl)cyclopropyl]-[4-methyl-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]methanone is CC(C)Cc1cnn(C2(C)CCN(C(=O)C3(C(F)F)CC3)CC2)c1.
What is the InChIKey of [1-(difluoromethyl)cyclopropyl]-[4-methyl-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]methanone?
The InChIKey is ZZLIUNVDRHQUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27F2N3O/c1-13(2)10-14-11-21-23(12-14)17(3)6-8-22(9-7-17)16(24)18(4-5-18)15(19)20/h11-13,15H,4-10H2,1-3H3.
What are the key properties of [1-(difluoromethyl)cyclopropyl]-[4-methyl-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]methanone?
[1-(difluoromethyl)cyclopropyl]-[4-methyl-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]methanone has a molecular weight of 339.43 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(difluoromethyl)cyclopropyl]-[4-methyl-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 155710669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).