2-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane

C16H28N4O — CID 91922303

IUPAC2-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane
SMILESCOCC1CN(Cc2c(C)n[nH]c2C)CC12CCNCC2
InChIInChI=1S/C16H28N4O/c1-12-15(13(2)19-18-12)9-20-8-14(10-21-3)16(11-20)4-6-17-7-5-16/h14,17H,4-11H2,1-3H3,(H,18,19)
InChIKeyZOZJRSPBSCMKTP-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.47
Rot. Bonds4

About 2-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane

2-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane (PubChem CID 91922303) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane
PubChem CID91922303
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name2-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane
SMILESCOCC1CN(Cc2c(C)n[nH]c2C)CC12CCNCC2
InChIInChI=1S/C16H28N4O/c1-12-15(13(2)19-18-12)9-20-8-14(10-21-3)16(11-20)4-6-17-7-5-16/h14,17H,4-11H2,1-3H3,(H,18,19)
InChIKeyZOZJRSPBSCMKTP-UHFFFAOYSA-N
XLogP1.47
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane?
The IUPAC name of 2-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane (CID 91922303) is 2-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 2-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 2-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane is COCC1CN(Cc2c(C)n[nH]c2C)CC12CCNCC2.
What is the InChIKey of 2-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane?
The InChIKey is ZOZJRSPBSCMKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-12-15(13(2)19-18-12)9-20-8-14(10-21-3)16(11-20)4-6-17-7-5-16/h14,17H,4-11H2,1-3H3,(H,18,19).
What are the key properties of 2-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane?
2-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane has a molecular weight of 292.43 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 91922303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).