7-cyclohexyl-2-[1-(difluoromethyl)pyrazole-3-carbonyl]-2,7-diazaspiro[4.5]decan-6-one

C19H26F2N4O2 — CID 72910796

IUPAC7-cyclohexyl-2-[1-(difluoromethyl)pyrazole-3-carbonyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C(c1ccn(C(F)F)n1)N1CCC2(CCCN(C3CCCCC3)C2=O)C1
InChIInChI=1S/C19H26F2N4O2/c20-18(21)25-11-7-15(22-25)16(26)23-12-9-19(13-23)8-4-10-24(17(19)27)14-5-2-1-3-6-14/h7,11,14,18H,1-6,8-10,12-13H2
InChIKeyXTUVXPNZOXINEA-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.07
Rot. Bonds3

About 7-cyclohexyl-2-[1-(difluoromethyl)pyrazole-3-carbonyl]-2,7-diazaspiro[4.5]decan-6-one

7-cyclohexyl-2-[1-(difluoromethyl)pyrazole-3-carbonyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72910796) has the molecular formula C19H26F2N4O2 and a molecular weight of 380.44 g/mol. Its IUPAC name is 7-cyclohexyl-2-[1-(difluoromethyl)pyrazole-3-carbonyl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-cyclohexyl-2-[1-(difluoromethyl)pyrazole-3-carbonyl]-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72910796
Molecular FormulaC19H26F2N4O2
Molecular Weight380.44 g/mol
Exact Mass380.20
IUPAC Name7-cyclohexyl-2-[1-(difluoromethyl)pyrazole-3-carbonyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C(c1ccn(C(F)F)n1)N1CCC2(CCCN(C3CCCCC3)C2=O)C1
InChIInChI=1S/C19H26F2N4O2/c20-18(21)25-11-7-15(22-25)16(26)23-12-9-19(13-23)8-4-10-24(17(19)27)14-5-2-1-3-6-14/h7,11,14,18H,1-6,8-10,12-13H2
InChIKeyXTUVXPNZOXINEA-UHFFFAOYSA-N
XLogP3.07
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-cyclohexyl-2-[1-(difluoromethyl)pyrazole-3-carbonyl]-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-cyclohexyl-2-[1-(difluoromethyl)pyrazole-3-carbonyl]-2,7-diazaspiro[4.5]decan-6-one (CID 72910796) is 7-cyclohexyl-2-[1-(difluoromethyl)pyrazole-3-carbonyl]-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-cyclohexyl-2-[1-(difluoromethyl)pyrazole-3-carbonyl]-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-cyclohexyl-2-[1-(difluoromethyl)pyrazole-3-carbonyl]-2,7-diazaspiro[4.5]decan-6-one is O=C(c1ccn(C(F)F)n1)N1CCC2(CCCN(C3CCCCC3)C2=O)C1.
What is the InChIKey of 7-cyclohexyl-2-[1-(difluoromethyl)pyrazole-3-carbonyl]-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is XTUVXPNZOXINEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F2N4O2/c20-18(21)25-11-7-15(22-25)16(26)23-12-9-19(13-23)8-4-10-24(17(19)27)14-5-2-1-3-6-14/h7,11,14,18H,1-6,8-10,12-13H2.
What are the key properties of 7-cyclohexyl-2-[1-(difluoromethyl)pyrazole-3-carbonyl]-2,7-diazaspiro[4.5]decan-6-one?
7-cyclohexyl-2-[1-(difluoromethyl)pyrazole-3-carbonyl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 380.44 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclohexyl-2-[1-(difluoromethyl)pyrazole-3-carbonyl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72910796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).