3-[(1-cyclohexylpyrazol-3-yl)methyl]-3,9-diazabicyclo[4.2.1]nonane

C17H28N4 — CID 115314453

IUPAC3-[(1-cyclohexylpyrazol-3-yl)methyl]-3,9-diazabicyclo[4.2.1]nonane
SMILESc1cn(C2CCCCC2)nc1CN1CCC2CCC(C1)N2
InChIInChI=1S/C17H28N4/c1-2-4-17(5-3-1)21-11-9-16(19-21)13-20-10-8-14-6-7-15(12-20)18-14/h9,11,14-15,17-18H,1-8,10,12-13H2
InChIKeyWVDSUTPNSXUCEN-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.71
Rot. Bonds3

About 3-[(1-cyclohexylpyrazol-3-yl)methyl]-3,9-diazabicyclo[4.2.1]nonane

3-[(1-cyclohexylpyrazol-3-yl)methyl]-3,9-diazabicyclo[4.2.1]nonane (PubChem CID 115314453) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is 3-[(1-cyclohexylpyrazol-3-yl)methyl]-3,9-diazabicyclo[4.2.1]nonane.

Molecular Properties

Compound Name3-[(1-cyclohexylpyrazol-3-yl)methyl]-3,9-diazabicyclo[4.2.1]nonane
PubChem CID115314453
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name3-[(1-cyclohexylpyrazol-3-yl)methyl]-3,9-diazabicyclo[4.2.1]nonane
SMILESc1cn(C2CCCCC2)nc1CN1CCC2CCC(C1)N2
InChIInChI=1S/C17H28N4/c1-2-4-17(5-3-1)21-11-9-16(19-21)13-20-10-8-14-6-7-15(12-20)18-14/h9,11,14-15,17-18H,1-8,10,12-13H2
InChIKeyWVDSUTPNSXUCEN-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(1-cyclohexylpyrazol-3-yl)methyl]-3,9-diazabicyclo[4.2.1]nonane 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

3-[[3-(chloromethyl)pyrrolidin-1-yl]methyl]-1-cyclohexylpyrazole
CID 64779907
(3R)-1-[(1-cyclohexylpyrazol-3-yl)methyl]-3-methylpiperazine
CID 104975598
(3S,4R)-1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol
CID 79410877
3-chloro-1-[(1-cyclohexylpyrazol-3-yl)methyl]piperidine
CID 64779699
1-[(1-cyclohexylpyrazol-3-yl)methyl]-3-methylpiperidin-4-amine
CID 79868446
1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
CID 64784230
1-[(1-cyclohexylpyrazol-3-yl)methyl]piperidine-4-carbaldehyde
CID 64776943
1-[(1-cyclopentylpyrazol-3-yl)methyl]-3-methylpiperazine
CID 64833588
(3S,4R)-1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol
CID 79410698
1-[(1-cyclohexylpyrazol-3-yl)methyl]-N,3-dimethylpiperidin-4-amine
CID 114499152
1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]piperidin-4-yl]-N-methylmethanamine
CID 64783589
1-[(1-cyclopentylpyrazol-3-yl)methyl]piperidine-3-carbothioamide
CID 64801483

Frequently Asked Questions

What is the IUPAC name of 3-[(1-cyclohexylpyrazol-3-yl)methyl]-3,9-diazabicyclo[4.2.1]nonane?
The IUPAC name of 3-[(1-cyclohexylpyrazol-3-yl)methyl]-3,9-diazabicyclo[4.2.1]nonane (CID 115314453) is 3-[(1-cyclohexylpyrazol-3-yl)methyl]-3,9-diazabicyclo[4.2.1]nonane.
What is the SMILES notation for 3-[(1-cyclohexylpyrazol-3-yl)methyl]-3,9-diazabicyclo[4.2.1]nonane?
The canonical SMILES for 3-[(1-cyclohexylpyrazol-3-yl)methyl]-3,9-diazabicyclo[4.2.1]nonane is c1cn(C2CCCCC2)nc1CN1CCC2CCC(C1)N2.
What is the InChIKey of 3-[(1-cyclohexylpyrazol-3-yl)methyl]-3,9-diazabicyclo[4.2.1]nonane?
The InChIKey is WVDSUTPNSXUCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-2-4-17(5-3-1)21-11-9-16(19-21)13-20-10-8-14-6-7-15(12-20)18-14/h9,11,14-15,17-18H,1-8,10,12-13H2.
What are the key properties of 3-[(1-cyclohexylpyrazol-3-yl)methyl]-3,9-diazabicyclo[4.2.1]nonane?
3-[(1-cyclohexylpyrazol-3-yl)methyl]-3,9-diazabicyclo[4.2.1]nonane has a molecular weight of 288.44 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-cyclohexylpyrazol-3-yl)methyl]-3,9-diazabicyclo[4.2.1]nonane is sourced from PubChem (CID 115314453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).