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

C17H30N4 — CID 64876848

IUPAC4-[(1-methylpyrazol-4-yl)methyl]-3-propyl-1,4-diazaspiro[5.5]undecane
SMILESCCCC1CNC2(CCCCC2)CN1Cc1cnn(C)c1
InChIInChI=1S/C17H30N4/c1-3-7-16-11-18-17(8-5-4-6-9-17)14-21(16)13-15-10-19-20(2)12-15/h10,12,16,18H,3-9,11,13-14H2,1-2H3
InChIKeyRHYFAFRTMGLSLV-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.70
Rot. Bonds4

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

4-[(1-methylpyrazol-4-yl)methyl]-3-propyl-1,4-diazaspiro[5.5]undecane (PubChem CID 64876848) has the molecular formula C17H30N4 and a molecular weight of 290.45 g/mol. Its IUPAC name is 4-[(1-methylpyrazol-4-yl)methyl]-3-propyl-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-[(1-methylpyrazol-4-yl)methyl]-3-propyl-1,4-diazaspiro[5.5]undecane
PubChem CID64876848
Molecular FormulaC17H30N4
Molecular Weight290.45 g/mol
Exact Mass290.25
IUPAC Name4-[(1-methylpyrazol-4-yl)methyl]-3-propyl-1,4-diazaspiro[5.5]undecane
SMILESCCCC1CNC2(CCCCC2)CN1Cc1cnn(C)c1
InChIInChI=1S/C17H30N4/c1-3-7-16-11-18-17(8-5-4-6-9-17)14-21(16)13-15-10-19-20(2)12-15/h10,12,16,18H,3-9,11,13-14H2,1-2H3
InChIKeyRHYFAFRTMGLSLV-UHFFFAOYSA-N
XLogP2.70
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1-methyltriazol-4-yl)methyl]-3-propyl-1,4-diazaspiro[5.5]undecane
CID 107055925
9-benzyl-8-propyl-6,9-diazaspiro[4.5]decane
CID 64877176
9-[(5-methyl-3-pyridinyl)methyl]-8-propyl-6,9-diazaspiro[4.5]decane
CID 102879622
3-propyl-4-(pyrimidin-2-ylmethyl)-1,4-diazaspiro[5.5]undecane
CID 64878189
4-ethyl-3-propyl-1,4-diazaspiro[5.5]undecane
CID 64877421
5-tert-butyl-1-[(1-methylpyrazol-4-yl)methyl]-2-propylpiperazine
CID 64843375
9-heptyl-8-propyl-6,9-diazaspiro[4.5]decane
CID 64878326
4-prop-2-enyl-3-propyl-1,4-diazaspiro[5.5]undecane
CID 64878190
8-ethyl-9-(pyridin-3-ylmethyl)-6,9-diazaspiro[4.5]decane
CID 64876595
9-[(5-bromo-3-pyridinyl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane
CID 104812527
2,5,5-trimethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 64839289
2-[(3-ethyl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-5-methyl-1,3-oxazole
CID 106376763

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylpyrazol-4-yl)methyl]-3-propyl-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 4-[(1-methylpyrazol-4-yl)methyl]-3-propyl-1,4-diazaspiro[5.5]undecane (CID 64876848) is 4-[(1-methylpyrazol-4-yl)methyl]-3-propyl-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 4-[(1-methylpyrazol-4-yl)methyl]-3-propyl-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 4-[(1-methylpyrazol-4-yl)methyl]-3-propyl-1,4-diazaspiro[5.5]undecane is CCCC1CNC2(CCCCC2)CN1Cc1cnn(C)c1.
What is the InChIKey of 4-[(1-methylpyrazol-4-yl)methyl]-3-propyl-1,4-diazaspiro[5.5]undecane?
The InChIKey is RHYFAFRTMGLSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-3-7-16-11-18-17(8-5-4-6-9-17)14-21(16)13-15-10-19-20(2)12-15/h10,12,16,18H,3-9,11,13-14H2,1-2H3.
What are the key properties of 4-[(1-methylpyrazol-4-yl)methyl]-3-propyl-1,4-diazaspiro[5.5]undecane?
4-[(1-methylpyrazol-4-yl)methyl]-3-propyl-1,4-diazaspiro[5.5]undecane has a molecular weight of 290.45 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylpyrazol-4-yl)methyl]-3-propyl-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 64876848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).