7-methyl-2-[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-2,7-diazaspiro[4.5]decan-6-one

C14H17F3N4O2 — CID 45221437

IUPAC7-methyl-2-[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCN1CCCC2(CCN(C(=O)c3cc(C(F)(F)F)[nH]n3)C2)C1=O
InChIInChI=1S/C14H17F3N4O2/c1-20-5-2-3-13(12(20)23)4-6-21(8-13)11(22)9-7-10(19-18-9)14(15,16)17/h7H,2-6,8H2,1H3,(H,18,19)
InChIKeyKOLHYSMGEXMRKK-UHFFFAOYSA-N
MW330.31 g/mol
LogP1.51
Rot. Bonds1

About 7-methyl-2-[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-2,7-diazaspiro[4.5]decan-6-one

7-methyl-2-[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 45221437) has the molecular formula C14H17F3N4O2 and a molecular weight of 330.31 g/mol. Its IUPAC name is 7-methyl-2-[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-methyl-2-[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-2,7-diazaspiro[4.5]decan-6-one
PubChem CID45221437
Molecular FormulaC14H17F3N4O2
Molecular Weight330.31 g/mol
Exact Mass330.13
IUPAC Name7-methyl-2-[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCN1CCCC2(CCN(C(=O)c3cc(C(F)(F)F)[nH]n3)C2)C1=O
InChIInChI=1S/C14H17F3N4O2/c1-20-5-2-3-13(12(20)23)4-6-21(8-13)11(22)9-7-10(19-18-9)14(15,16)17/h7H,2-6,8H2,1H3,(H,18,19)
InChIKeyKOLHYSMGEXMRKK-UHFFFAOYSA-N
XLogP1.51
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-methyl-2-[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-2,7-diazaspiro[4.5]decan-6-one (CID 45221437) is 7-methyl-2-[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-methyl-2-[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-methyl-2-[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-2,7-diazaspiro[4.5]decan-6-one is CN1CCCC2(CCN(C(=O)c3cc(C(F)(F)F)[nH]n3)C2)C1=O.
What is the InChIKey of 7-methyl-2-[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is KOLHYSMGEXMRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N4O2/c1-20-5-2-3-13(12(20)23)4-6-21(8-13)11(22)9-7-10(19-18-9)14(15,16)17/h7H,2-6,8H2,1H3,(H,18,19).
What are the key properties of 7-methyl-2-[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-2,7-diazaspiro[4.5]decan-6-one?
7-methyl-2-[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 330.31 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 45221437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).