1-[(1-methylpyrazol-3-yl)methyl]-3-propan-2-yl-1,4-diazaspiro[5.5]undecane

C17H30N4 — CID 82872305

IUPAC1-[(1-methylpyrazol-3-yl)methyl]-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
SMILESCC(C)C1CN(Cc2ccn(C)n2)C2(CCCCC2)CN1
InChIInChI=1S/C17H30N4/c1-14(2)16-12-21(11-15-7-10-20(3)19-15)17(13-18-16)8-5-4-6-9-17/h7,10,14,16,18H,4-6,8-9,11-13H2,1-3H3
InChIKeyUNOVVGCADKNKSB-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.55
Rot. Bonds3

About 1-[(1-methylpyrazol-3-yl)methyl]-3-propan-2-yl-1,4-diazaspiro[5.5]undecane

1-[(1-methylpyrazol-3-yl)methyl]-3-propan-2-yl-1,4-diazaspiro[5.5]undecane (PubChem CID 82872305) has the molecular formula C17H30N4 and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-[(1-methylpyrazol-3-yl)methyl]-3-propan-2-yl-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name1-[(1-methylpyrazol-3-yl)methyl]-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
PubChem CID82872305
Molecular FormulaC17H30N4
Molecular Weight290.45 g/mol
Exact Mass290.25
IUPAC Name1-[(1-methylpyrazol-3-yl)methyl]-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
SMILESCC(C)C1CN(Cc2ccn(C)n2)C2(CCCCC2)CN1
InChIInChI=1S/C17H30N4/c1-14(2)16-12-21(11-15-7-10-20(3)19-15)17(13-18-16)8-5-4-6-9-17/h7,10,14,16,18H,4-6,8-9,11-13H2,1-3H3
InChIKeyUNOVVGCADKNKSB-UHFFFAOYSA-N
XLogP2.55
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-propan-2-yl-6-(pyridin-2-ylmethyl)-6,9-diazaspiro[4.5]decane
CID 64840047
6-[(4-chlorophenyl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64838297
1-ethyl-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 64839273
8-propan-2-yl-6-propyl-6,9-diazaspiro[4.5]decane
CID 64839855
6-[(5-bromothiophen-2-yl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64840241
1-(2-ethylsulfonylethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 106732916
6-[2-(2-methylpyrazol-3-yl)ethyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 103016334
6-[(3-bromophenyl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64837716
1-(cyclobutylmethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 65461470
2,2-dimethyl-5-(2-methylpropyl)-1-[(1-methylpyrazol-3-yl)methyl]piperazine
CID 82870890
1-[(E)-3-chloroprop-2-enyl]-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 107901489
6-[2-(2-methylpropoxy)ethyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 106458569

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpyrazol-3-yl)methyl]-3-propan-2-yl-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 1-[(1-methylpyrazol-3-yl)methyl]-3-propan-2-yl-1,4-diazaspiro[5.5]undecane (CID 82872305) is 1-[(1-methylpyrazol-3-yl)methyl]-3-propan-2-yl-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 1-[(1-methylpyrazol-3-yl)methyl]-3-propan-2-yl-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 1-[(1-methylpyrazol-3-yl)methyl]-3-propan-2-yl-1,4-diazaspiro[5.5]undecane is CC(C)C1CN(Cc2ccn(C)n2)C2(CCCCC2)CN1.
What is the InChIKey of 1-[(1-methylpyrazol-3-yl)methyl]-3-propan-2-yl-1,4-diazaspiro[5.5]undecane?
The InChIKey is UNOVVGCADKNKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-14(2)16-12-21(11-15-7-10-20(3)19-15)17(13-18-16)8-5-4-6-9-17/h7,10,14,16,18H,4-6,8-9,11-13H2,1-3H3.
What are the key properties of 1-[(1-methylpyrazol-3-yl)methyl]-3-propan-2-yl-1,4-diazaspiro[5.5]undecane?
1-[(1-methylpyrazol-3-yl)methyl]-3-propan-2-yl-1,4-diazaspiro[5.5]undecane has a molecular weight of 290.45 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpyrazol-3-yl)methyl]-3-propan-2-yl-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 82872305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).