(2,2-difluorocyclopropyl)-[4-[3,4-di(propan-2-yl)pyrazol-1-yl]piperidin-1-yl]methanone

C18H27F2N3O — CID 122472065

IUPAC(2,2-difluorocyclopropyl)-[4-[3,4-di(propan-2-yl)pyrazol-1-yl]piperidin-1-yl]methanone
SMILESCC(C)c1cn(C2CCN(C(=O)C3CC3(F)F)CC2)nc1C(C)C
InChIInChI=1S/C18H27F2N3O/c1-11(2)14-10-23(21-16(14)12(3)4)13-5-7-22(8-6-13)17(24)15-9-18(15,19)20/h10-13,15H,5-9H2,1-4H3
InChIKeyDYCOBJNTVYXGBI-UHFFFAOYSA-N
MW339.43 g/mol
LogP3.95
Rot. Bonds4

About (2,2-difluorocyclopropyl)-[4-[3,4-di(propan-2-yl)pyrazol-1-yl]piperidin-1-yl]methanone

(2,2-difluorocyclopropyl)-[4-[3,4-di(propan-2-yl)pyrazol-1-yl]piperidin-1-yl]methanone (PubChem CID 122472065) has the molecular formula C18H27F2N3O and a molecular weight of 339.43 g/mol. Its IUPAC name is (2,2-difluorocyclopropyl)-[4-[3,4-di(propan-2-yl)pyrazol-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,2-difluorocyclopropyl)-[4-[3,4-di(propan-2-yl)pyrazol-1-yl]piperidin-1-yl]methanone
PubChem CID122472065
Molecular FormulaC18H27F2N3O
Molecular Weight339.43 g/mol
Exact Mass339.21
IUPAC Name(2,2-difluorocyclopropyl)-[4-[3,4-di(propan-2-yl)pyrazol-1-yl]piperidin-1-yl]methanone
SMILESCC(C)c1cn(C2CCN(C(=O)C3CC3(F)F)CC2)nc1C(C)C
InChIInChI=1S/C18H27F2N3O/c1-11(2)14-10-23(21-16(14)12(3)4)13-5-7-22(8-6-13)17(24)15-9-18(15,19)20/h10-13,15H,5-9H2,1-4H3
InChIKeyDYCOBJNTVYXGBI-UHFFFAOYSA-N
XLogP3.95
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.43
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,2-difluorocyclopropyl)-[4-[3,4-di(propan-2-yl)pyrazol-1-yl]piperidin-1-yl]methanone?
The IUPAC name of (2,2-difluorocyclopropyl)-[4-[3,4-di(propan-2-yl)pyrazol-1-yl]piperidin-1-yl]methanone (CID 122472065) is (2,2-difluorocyclopropyl)-[4-[3,4-di(propan-2-yl)pyrazol-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (2,2-difluorocyclopropyl)-[4-[3,4-di(propan-2-yl)pyrazol-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for (2,2-difluorocyclopropyl)-[4-[3,4-di(propan-2-yl)pyrazol-1-yl]piperidin-1-yl]methanone is CC(C)c1cn(C2CCN(C(=O)C3CC3(F)F)CC2)nc1C(C)C.
What is the InChIKey of (2,2-difluorocyclopropyl)-[4-[3,4-di(propan-2-yl)pyrazol-1-yl]piperidin-1-yl]methanone?
The InChIKey is DYCOBJNTVYXGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27F2N3O/c1-11(2)14-10-23(21-16(14)12(3)4)13-5-7-22(8-6-13)17(24)15-9-18(15,19)20/h10-13,15H,5-9H2,1-4H3.
What are the key properties of (2,2-difluorocyclopropyl)-[4-[3,4-di(propan-2-yl)pyrazol-1-yl]piperidin-1-yl]methanone?
(2,2-difluorocyclopropyl)-[4-[3,4-di(propan-2-yl)pyrazol-1-yl]piperidin-1-yl]methanone has a molecular weight of 339.43 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-difluorocyclopropyl)-[4-[3,4-di(propan-2-yl)pyrazol-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 122472065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).