[9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1H-pyrazol-4-yl)methanone

C17H28N4O — CID 45239009

IUPAC[9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1H-pyrazol-4-yl)methanone
SMILESCC(C)(C)CN1CCCC2(CCN(C(=O)c3cn[nH]c3)C2)C1
InChIInChI=1S/C17H28N4O/c1-16(2,3)11-20-7-4-5-17(12-20)6-8-21(13-17)15(22)14-9-18-19-10-14/h9-10H,4-8,11-13H2,1-3H3,(H,18,19)
InChIKeyNYUOHCYZLALQTI-UHFFFAOYSA-N
MW304.44 g/mol
LogP2.38
Rot. Bonds2

About [9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1H-pyrazol-4-yl)methanone

[9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1H-pyrazol-4-yl)methanone (PubChem CID 45239009) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is [9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Name[9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1H-pyrazol-4-yl)methanone
PubChem CID45239009
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name[9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1H-pyrazol-4-yl)methanone
SMILESCC(C)(C)CN1CCCC2(CCN(C(=O)c3cn[nH]c3)C2)C1
InChIInChI=1S/C17H28N4O/c1-16(2,3)11-20-7-4-5-17(12-20)6-8-21(13-17)15(22)14-9-18-19-10-14/h9-10H,4-8,11-13H2,1-3H3,(H,18,19)
InChIKeyNYUOHCYZLALQTI-UHFFFAOYSA-N
XLogP2.38
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1H-pyrazol-4-yl)methanone 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 [9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1H-pyrazol-4-yl)methanone?
The IUPAC name of [9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1H-pyrazol-4-yl)methanone (CID 45239009) is [9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1H-pyrazol-4-yl)methanone.
What is the SMILES notation for [9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1H-pyrazol-4-yl)methanone?
The canonical SMILES for [9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1H-pyrazol-4-yl)methanone is CC(C)(C)CN1CCCC2(CCN(C(=O)c3cn[nH]c3)C2)C1.
What is the InChIKey of [9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1H-pyrazol-4-yl)methanone?
The InChIKey is NYUOHCYZLALQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-16(2,3)11-20-7-4-5-17(12-20)6-8-21(13-17)15(22)14-9-18-19-10-14/h9-10H,4-8,11-13H2,1-3H3,(H,18,19).
What are the key properties of [9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1H-pyrazol-4-yl)methanone?
[9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1H-pyrazol-4-yl)methanone has a molecular weight of 304.44 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 45239009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).