1-[2-(1-methylpyrazol-4-yl)ethyl]-1,4-diazaspiro[5.5]undecane

C15H26N4 — CID 103815939

IUPAC1-[2-(1-methylpyrazol-4-yl)ethyl]-1,4-diazaspiro[5.5]undecane
SMILESCn1cc(CCN2CCNCC23CCCCC3)cn1
InChIInChI=1S/C15H26N4/c1-18-12-14(11-17-18)5-9-19-10-8-16-13-15(19)6-3-2-4-7-15/h11-12,16H,2-10,13H2,1H3
InChIKeyZAMMZCCSQPHEQI-UHFFFAOYSA-N
MW262.40 g/mol
LogP1.57
Rot. Bonds3

About 1-[2-(1-methylpyrazol-4-yl)ethyl]-1,4-diazaspiro[5.5]undecane

1-[2-(1-methylpyrazol-4-yl)ethyl]-1,4-diazaspiro[5.5]undecane (PubChem CID 103815939) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[2-(1-methylpyrazol-4-yl)ethyl]-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name1-[2-(1-methylpyrazol-4-yl)ethyl]-1,4-diazaspiro[5.5]undecane
PubChem CID103815939
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name1-[2-(1-methylpyrazol-4-yl)ethyl]-1,4-diazaspiro[5.5]undecane
SMILESCn1cc(CCN2CCNCC23CCCCC3)cn1
InChIInChI=1S/C15H26N4/c1-18-12-14(11-17-18)5-9-19-10-8-16-13-15(19)6-3-2-4-7-15/h11-12,16H,2-10,13H2,1H3
InChIKeyZAMMZCCSQPHEQI-UHFFFAOYSA-N
XLogP1.57
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(1-methylpyrazol-4-yl)ethyl]-1,4-diazaspiro[5.5]undecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(1-methylpyrazol-4-yl)ethyl]cyclooctane-1-carboxylic acid
CID 103017652
1-[2-(1,2,4-triazol-1-yl)ethyl]-1,4-diazaspiro[5.5]undecane;dihydrochloride
CID 119933288
1-(2-methylsulfonylethyl)-1,4-diazaspiro[5.5]undecane
CID 64845620
1-methyl-1,4-diazaspiro[5.5]undecane
CID 20761876
6-decyl-6,9-diazaspiro[4.5]decane
CID 64844428
1-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentan-1-ol
CID 103005734
8-cyclopropyl-8-methyl-6-[(1-methylpyrazol-4-yl)methyl]-6,9-diazaspiro[4.5]decane
CID 64860600
1-[2-(1-methylpyrazol-4-yl)ethyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 103815442
1-(4,4,4-trifluorobutyl)-1,4-diazaspiro[5.5]undecane
CID 113326641
3-[2-(1-methylpyrazol-4-yl)ethyl]azetidin-3-ol
CID 103006388
1-(2-propan-2-yloxyethyl)-1,4-diazaspiro[5.5]undecane;hydrochloride
CID 119933414
2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120907742

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylpyrazol-4-yl)ethyl]-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 1-[2-(1-methylpyrazol-4-yl)ethyl]-1,4-diazaspiro[5.5]undecane (CID 103815939) is 1-[2-(1-methylpyrazol-4-yl)ethyl]-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 1-[2-(1-methylpyrazol-4-yl)ethyl]-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 1-[2-(1-methylpyrazol-4-yl)ethyl]-1,4-diazaspiro[5.5]undecane is Cn1cc(CCN2CCNCC23CCCCC3)cn1.
What is the InChIKey of 1-[2-(1-methylpyrazol-4-yl)ethyl]-1,4-diazaspiro[5.5]undecane?
The InChIKey is ZAMMZCCSQPHEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-18-12-14(11-17-18)5-9-19-10-8-16-13-15(19)6-3-2-4-7-15/h11-12,16H,2-10,13H2,1H3.
What are the key properties of 1-[2-(1-methylpyrazol-4-yl)ethyl]-1,4-diazaspiro[5.5]undecane?
1-[2-(1-methylpyrazol-4-yl)ethyl]-1,4-diazaspiro[5.5]undecane has a molecular weight of 262.40 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylpyrazol-4-yl)ethyl]-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 103815939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).