2-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride

C16H29ClN4 — CID 120906461

IUPAC2-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
SMILESCCn1nc(C)c(CN2CCC3(CCNCC3)C2)c1C.Cl
InChIInChI=1S/C16H28N4.ClH/c1-4-20-14(3)15(13(2)18-20)11-19-10-7-16(12-19)5-8-17-9-6-16;/h17H,4-12H2,1-3H3;1H
InChIKeyRACDPWLXWDBWAG-UHFFFAOYSA-N
MW312.89 g/mol
LogP2.52
Rot. Bonds3

About 2-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride

2-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride (PubChem CID 120906461) has the molecular formula C16H29ClN4 and a molecular weight of 312.89 g/mol. Its IUPAC name is 2-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride.

Molecular Properties

Compound Name2-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
PubChem CID120906461
Molecular FormulaC16H29ClN4
Molecular Weight312.89 g/mol
Exact Mass312.21
IUPAC Name2-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
SMILESCCn1nc(C)c(CN2CCC3(CCNCC3)C2)c1C.Cl
InChIInChI=1S/C16H28N4.ClH/c1-4-20-14(3)15(13(2)18-20)11-19-10-7-16(12-19)5-8-17-9-6-16;/h17H,4-12H2,1-3H3;1H
InChIKeyRACDPWLXWDBWAG-UHFFFAOYSA-N
XLogP2.52
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.89
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride?
The IUPAC name of 2-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride (CID 120906461) is 2-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride.
What is the SMILES notation for 2-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride?
The canonical SMILES for 2-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride is CCn1nc(C)c(CN2CCC3(CCNCC3)C2)c1C.Cl.
What is the InChIKey of 2-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride?
The InChIKey is RACDPWLXWDBWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4.ClH/c1-4-20-14(3)15(13(2)18-20)11-19-10-7-16(12-19)5-8-17-9-6-16;/h17H,4-12H2,1-3H3;1H.
What are the key properties of 2-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride?
2-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride has a molecular weight of 312.89 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride is sourced from PubChem (CID 120906461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).