[2-cyclobutyl-8-[(2,5-dimethylpyrazol-3-yl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol

C19H32N4O — CID 91922271

IUPAC[2-cyclobutyl-8-[(2,5-dimethylpyrazol-3-yl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol
SMILESCc1cc(CN2CCC3(CC2)CN(C2CCC2)CC3CO)n(C)n1
InChIInChI=1S/C19H32N4O/c1-15-10-18(21(2)20-15)12-22-8-6-19(7-9-22)14-23(11-16(19)13-24)17-4-3-5-17/h10,16-17,24H,3-9,11-14H2,1-2H3
InChIKeyKECLZZVPTZZQKE-UHFFFAOYSA-N
MW332.49 g/mol
LogP1.79
Rot. Bonds4

About [2-cyclobutyl-8-[(2,5-dimethylpyrazol-3-yl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol

[2-cyclobutyl-8-[(2,5-dimethylpyrazol-3-yl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol (PubChem CID 91922271) has the molecular formula C19H32N4O and a molecular weight of 332.49 g/mol. Its IUPAC name is [2-cyclobutyl-8-[(2,5-dimethylpyrazol-3-yl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol.

Molecular Properties

Compound Name[2-cyclobutyl-8-[(2,5-dimethylpyrazol-3-yl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol
PubChem CID91922271
Molecular FormulaC19H32N4O
Molecular Weight332.49 g/mol
Exact Mass332.26
IUPAC Name[2-cyclobutyl-8-[(2,5-dimethylpyrazol-3-yl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol
SMILESCc1cc(CN2CCC3(CC2)CN(C2CCC2)CC3CO)n(C)n1
InChIInChI=1S/C19H32N4O/c1-15-10-18(21(2)20-15)12-22-8-6-19(7-9-22)14-23(11-16(19)13-24)17-4-3-5-17/h10,16-17,24H,3-9,11-14H2,1-2H3
InChIKeyKECLZZVPTZZQKE-UHFFFAOYSA-N
XLogP1.79
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-cyclobutyl-8-[(2,5-dimethylpyrazol-3-yl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol?
The IUPAC name of [2-cyclobutyl-8-[(2,5-dimethylpyrazol-3-yl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol (CID 91922271) is [2-cyclobutyl-8-[(2,5-dimethylpyrazol-3-yl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol.
What is the SMILES notation for [2-cyclobutyl-8-[(2,5-dimethylpyrazol-3-yl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol?
The canonical SMILES for [2-cyclobutyl-8-[(2,5-dimethylpyrazol-3-yl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol is Cc1cc(CN2CCC3(CC2)CN(C2CCC2)CC3CO)n(C)n1.
What is the InChIKey of [2-cyclobutyl-8-[(2,5-dimethylpyrazol-3-yl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol?
The InChIKey is KECLZZVPTZZQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O/c1-15-10-18(21(2)20-15)12-22-8-6-19(7-9-22)14-23(11-16(19)13-24)17-4-3-5-17/h10,16-17,24H,3-9,11-14H2,1-2H3.
What are the key properties of [2-cyclobutyl-8-[(2,5-dimethylpyrazol-3-yl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol?
[2-cyclobutyl-8-[(2,5-dimethylpyrazol-3-yl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol has a molecular weight of 332.49 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyclobutyl-8-[(2,5-dimethylpyrazol-3-yl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol is sourced from PubChem (CID 91922271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).