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

C17H31ClN4 — CID 120907418

IUPAC2-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
SMILESCCCn1nc(C)c(CN2CCC3(CCNCC3)C2)c1C.Cl
InChIInChI=1S/C17H30N4.ClH/c1-4-10-21-15(3)16(14(2)19-21)12-20-11-7-17(13-20)5-8-18-9-6-17;/h18H,4-13H2,1-3H3;1H
InChIKeyJEYYGTJTJXVUTC-UHFFFAOYSA-N
MW326.92 g/mol
LogP2.91
Rot. Bonds4

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

2-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride (PubChem CID 120907418) has the molecular formula C17H31ClN4 and a molecular weight of 326.92 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
PubChem CID120907418
Molecular FormulaC17H31ClN4
Molecular Weight326.92 g/mol
Exact Mass326.22
IUPAC Name2-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
SMILESCCCn1nc(C)c(CN2CCC3(CCNCC3)C2)c1C.Cl
InChIInChI=1S/C17H30N4.ClH/c1-4-10-21-15(3)16(14(2)19-21)12-20-11-7-17(13-20)5-8-18-9-6-17;/h18H,4-13H2,1-3H3;1H
InChIKeyJEYYGTJTJXVUTC-UHFFFAOYSA-N
XLogP2.91
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.92
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906461
2-[[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120907296
6-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-6-azaspiro[3.4]octane
CID 97159669
2-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane
CID 120907365
2-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]-2,7-diazaspiro[4.4]nonane
CID 120908560
2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane
CID 120908289
2-[(1-ethylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906680
2-[(2-methyl-1H-indol-3-yl)methyl]-2,8-diazaspiro[4.5]decane;dihydrochloride
CID 171687135
(3S)-1-butyl-9-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-3-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione;dihydrochloride
CID 172807857
2-[(2,3-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906566
1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]piperazine
CID 23005910
5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-2-ethyl-1,3-thiazole
CID 120906886

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride?
The IUPAC name of 2-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride (CID 120907418) is 2-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride.
What is the SMILES notation for 2-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride?
The canonical SMILES for 2-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride is CCCn1nc(C)c(CN2CCC3(CCNCC3)C2)c1C.Cl.
What is the InChIKey of 2-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride?
The InChIKey is JEYYGTJTJXVUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4.ClH/c1-4-10-21-15(3)16(14(2)19-21)12-20-11-7-17(13-20)5-8-18-9-6-17;/h18H,4-13H2,1-3H3;1H.
What are the key properties of 2-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride?
2-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride has a molecular weight of 326.92 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride is sourced from PubChem (CID 120907418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).