9-[(1-cyclopentylpyrazol-3-yl)methyl]-6,9-diazaspiro[4.5]decane

C17H28N4 — CID 64833663

IUPAC9-[(1-cyclopentylpyrazol-3-yl)methyl]-6,9-diazaspiro[4.5]decane
SMILESc1cn(C2CCCC2)nc1CN1CCNC2(CCCC2)C1
InChIInChI=1S/C17H28N4/c1-2-6-16(5-1)21-11-7-15(19-21)13-20-12-10-18-17(14-20)8-3-4-9-17/h7,11,16,18H,1-6,8-10,12-14H2
InChIKeyBPWGTEWVVFATAJ-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.72
Rot. Bonds3

About 9-[(1-cyclopentylpyrazol-3-yl)methyl]-6,9-diazaspiro[4.5]decane

9-[(1-cyclopentylpyrazol-3-yl)methyl]-6,9-diazaspiro[4.5]decane (PubChem CID 64833663) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is 9-[(1-cyclopentylpyrazol-3-yl)methyl]-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name9-[(1-cyclopentylpyrazol-3-yl)methyl]-6,9-diazaspiro[4.5]decane
PubChem CID64833663
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name9-[(1-cyclopentylpyrazol-3-yl)methyl]-6,9-diazaspiro[4.5]decane
SMILESc1cn(C2CCCC2)nc1CN1CCNC2(CCCC2)C1
InChIInChI=1S/C17H28N4/c1-2-6-16(5-1)21-11-7-15(19-21)13-20-12-10-18-17(14-20)8-3-4-9-17/h7,11,16,18H,1-6,8-10,12-14H2
InChIKeyBPWGTEWVVFATAJ-UHFFFAOYSA-N
XLogP2.72
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-cyclopentylpyrazol-3-yl)methyl]-3-methylpiperazine
CID 64833588
(3R)-1-[(1-cyclohexylpyrazol-3-yl)methyl]-3-methylpiperazine
CID 104975598
1-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methylpiperidin-4-ol
CID 81002641
3-(6,9-diazaspiro[4.5]decan-9-ylmethyl)-1,2-oxazole
CID 81173500
(3S,4R)-1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol
CID 79410698
3-[(1-cyclohexylpyrazol-3-yl)methyl]-3,9-diazabicyclo[4.2.1]nonane
CID 115314453
(3S,4R)-1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol
CID 79410877
10-[(1-butan-2-ylpyrazol-3-yl)methyl]-6,10-diazaspiro[4.6]undecane
CID 64872276
1-[(1-cyclohexylpyrazol-3-yl)methyl]piperidine-4-carbaldehyde
CID 64776943
4-[(1-cyclopentylpyrazol-3-yl)methyl]piperazine-1-sulfonamide
CID 75382047
1-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2,5,5-tetramethylpiperazine
CID 64838373
1-[(1-cyclopentylpyrazol-3-yl)methyl]-3,3,7-trimethyl-1,4-diazepane
CID 64870597

Frequently Asked Questions

What is the IUPAC name of 9-[(1-cyclopentylpyrazol-3-yl)methyl]-6,9-diazaspiro[4.5]decane?
The IUPAC name of 9-[(1-cyclopentylpyrazol-3-yl)methyl]-6,9-diazaspiro[4.5]decane (CID 64833663) is 9-[(1-cyclopentylpyrazol-3-yl)methyl]-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 9-[(1-cyclopentylpyrazol-3-yl)methyl]-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 9-[(1-cyclopentylpyrazol-3-yl)methyl]-6,9-diazaspiro[4.5]decane is c1cn(C2CCCC2)nc1CN1CCNC2(CCCC2)C1.
What is the InChIKey of 9-[(1-cyclopentylpyrazol-3-yl)methyl]-6,9-diazaspiro[4.5]decane?
The InChIKey is BPWGTEWVVFATAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-2-6-16(5-1)21-11-7-15(19-21)13-20-12-10-18-17(14-20)8-3-4-9-17/h7,11,16,18H,1-6,8-10,12-14H2.
What are the key properties of 9-[(1-cyclopentylpyrazol-3-yl)methyl]-6,9-diazaspiro[4.5]decane?
9-[(1-cyclopentylpyrazol-3-yl)methyl]-6,9-diazaspiro[4.5]decane has a molecular weight of 288.44 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(1-cyclopentylpyrazol-3-yl)methyl]-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 64833663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).