8,8-difluoro-2-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-azaspiro[4.5]decane

C14H21F2N3 — CID 166271361

IUPAC8,8-difluoro-2-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-azaspiro[4.5]decane
SMILESCc1cc(CN2CCC3(CCC(F)(F)CC3)C2)n[nH]1
InChIInChI=1S/C14H21F2N3/c1-11-8-12(18-17-11)9-19-7-6-13(10-19)2-4-14(15,16)5-3-13/h8H,2-7,9-10H2,1H3,(H,17,18)
InChIKeyVXJYIURCSSWYHG-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.12
Rot. Bonds2

About 8,8-difluoro-2-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-azaspiro[4.5]decane

8,8-difluoro-2-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-azaspiro[4.5]decane (PubChem CID 166271361) has the molecular formula C14H21F2N3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 8,8-difluoro-2-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-azaspiro[4.5]decane.

Molecular Properties

Compound Name8,8-difluoro-2-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-azaspiro[4.5]decane
PubChem CID166271361
Molecular FormulaC14H21F2N3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name8,8-difluoro-2-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-azaspiro[4.5]decane
SMILESCc1cc(CN2CCC3(CCC(F)(F)CC3)C2)n[nH]1
InChIInChI=1S/C14H21F2N3/c1-11-8-12(18-17-11)9-19-7-6-13(10-19)2-4-14(15,16)5-3-13/h8H,2-7,9-10H2,1H3,(H,17,18)
InChIKeyVXJYIURCSSWYHG-UHFFFAOYSA-N
XLogP3.12
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8,8-difluoro-2-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-azaspiro[4.5]decane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8,8-difluoro-2-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-azaspiro[4.5]decane?
The IUPAC name of 8,8-difluoro-2-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-azaspiro[4.5]decane (CID 166271361) is 8,8-difluoro-2-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-azaspiro[4.5]decane.
What is the SMILES notation for 8,8-difluoro-2-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-azaspiro[4.5]decane?
The canonical SMILES for 8,8-difluoro-2-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-azaspiro[4.5]decane is Cc1cc(CN2CCC3(CCC(F)(F)CC3)C2)n[nH]1.
What is the InChIKey of 8,8-difluoro-2-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-azaspiro[4.5]decane?
The InChIKey is VXJYIURCSSWYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N3/c1-11-8-12(18-17-11)9-19-7-6-13(10-19)2-4-14(15,16)5-3-13/h8H,2-7,9-10H2,1H3,(H,17,18).
What are the key properties of 8,8-difluoro-2-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-azaspiro[4.5]decane?
8,8-difluoro-2-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-azaspiro[4.5]decane has a molecular weight of 269.34 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-difluoro-2-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-azaspiro[4.5]decane is sourced from PubChem (CID 166271361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).