2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride

C12H21ClN4 — CID 120907742

IUPAC2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
SMILESCl.Cn1cc(CN2CCC3(CCNC3)C2)cn1
InChIInChI=1S/C12H20N4.ClH/c1-15-7-11(6-14-15)8-16-5-3-12(10-16)2-4-13-9-12;/h6-7,13H,2-5,8-10H2,1H3;1H
InChIKeyCARJTUNAXBMXLZ-UHFFFAOYSA-N
MW256.78 g/mol
LogP1.03
Rot. Bonds2

About 2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride

2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride (PubChem CID 120907742) has the molecular formula C12H21ClN4 and a molecular weight of 256.78 g/mol. Its IUPAC name is 2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride.

Molecular Properties

Compound Name2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
PubChem CID120907742
Molecular FormulaC12H21ClN4
Molecular Weight256.78 g/mol
Exact Mass256.15
IUPAC Name2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
SMILESCl.Cn1cc(CN2CCC3(CCNC3)C2)cn1
InChIInChI=1S/C12H20N4.ClH/c1-15-7-11(6-14-15)8-16-5-3-12(10-16)2-4-13-9-12;/h6-7,13H,2-5,8-10H2,1H3;1H
InChIKeyCARJTUNAXBMXLZ-UHFFFAOYSA-N
XLogP1.03
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-ethylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane
CID 120907844
2-[(1-ethylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906680
2-[(1-methyltriazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120907965
2-[[1-(4-bromophenyl)pyrazol-4-yl]methyl]-2,7-diazaspiro[4.4]nonane
CID 120908419
2-[(2-methylpyrazol-3-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908563
(5R)-2-benzyl-2,7-diazaspiro[4.4]nonane
CID 34178522
2-benzyl-2,7-diazaspiro[4.4]nonane;methanamine
CID 142253116
5-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-N-ethyl-N-methylpyridin-2-amine;hydrochloride
CID 120908695
2-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120907713
2-[4-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)pyrazol-1-yl]ethanol
CID 102849304
2-[(3-fluoro-4-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908775
2-[(5-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.4]nonane
CID 120908225

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride?
The IUPAC name of 2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride (CID 120907742) is 2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride.
What is the SMILES notation for 2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride?
The canonical SMILES for 2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride is Cl.Cn1cc(CN2CCC3(CCNC3)C2)cn1.
What is the InChIKey of 2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride?
The InChIKey is CARJTUNAXBMXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4.ClH/c1-15-7-11(6-14-15)8-16-5-3-12(10-16)2-4-13-9-12;/h6-7,13H,2-5,8-10H2,1H3;1H.
What are the key properties of 2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride?
2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride has a molecular weight of 256.78 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride is sourced from PubChem (CID 120907742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).