2-[(1-cyclopentylpyrazol-3-yl)methyl]-2-propylazepane

C18H31N3 — CID 79119222

IUPAC2-[(1-cyclopentylpyrazol-3-yl)methyl]-2-propylazepane
SMILESCCCC1(Cc2ccn(C3CCCC3)n2)CCCCCN1
InChIInChI=1S/C18H31N3/c1-2-11-18(12-6-3-7-13-19-18)15-16-10-14-21(20-16)17-8-4-5-9-17/h10,14,17,19H,2-9,11-13,15H2,1H3
InChIKeyUFGZJJLKKDSZIQ-UHFFFAOYSA-N
MW289.47 g/mol
LogP4.24
Rot. Bonds5

About 2-[(1-cyclopentylpyrazol-3-yl)methyl]-2-propylazepane

2-[(1-cyclopentylpyrazol-3-yl)methyl]-2-propylazepane (PubChem CID 79119222) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is 2-[(1-cyclopentylpyrazol-3-yl)methyl]-2-propylazepane.

Molecular Properties

Compound Name2-[(1-cyclopentylpyrazol-3-yl)methyl]-2-propylazepane
PubChem CID79119222
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC Name2-[(1-cyclopentylpyrazol-3-yl)methyl]-2-propylazepane
SMILESCCCC1(Cc2ccn(C3CCCC3)n2)CCCCCN1
InChIInChI=1S/C18H31N3/c1-2-11-18(12-6-3-7-13-19-18)15-16-10-14-21(20-16)17-8-4-5-9-17/h10,14,17,19H,2-9,11-13,15H2,1H3
InChIKeyUFGZJJLKKDSZIQ-UHFFFAOYSA-N
XLogP4.24
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-3-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrazole
CID 66467443
1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclohexyl]-N-methylmethanamine
CID 64779878
1-cyclohexyl-3-ethylpyrazole
CID 66014335
2-(1-cyclohexylpyrazol-3-yl)-1-(3-methylpiperidin-3-yl)ethanone
CID 116569543
1-[(1-cyclohexylpyrazol-3-yl)methyl]-3-methylcyclopentan-1-amine
CID 64785070
1-[(1-cyclopentylpyrazol-3-yl)methyl]-4-propylcyclohexan-1-amine
CID 64784480
N-[1-[1-[(1-cyclopentylpyrazol-3-yl)methyl]cyclopropyl]ethyl]propan-1-amine
CID 106798023
1-[(1-cyclohexylpyrazol-3-yl)methyl]-3-ethylcyclohexan-1-amine
CID 64783907
[1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclopropyl]methanol
CID 66024341
1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclopropyl]ethanone
CID 106797108
1-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2-dimethylcyclohexan-1-ol
CID 79852504
1-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylcyclohexan-1-amine
CID 64783322

Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclopentylpyrazol-3-yl)methyl]-2-propylazepane?
The IUPAC name of 2-[(1-cyclopentylpyrazol-3-yl)methyl]-2-propylazepane (CID 79119222) is 2-[(1-cyclopentylpyrazol-3-yl)methyl]-2-propylazepane.
What is the SMILES notation for 2-[(1-cyclopentylpyrazol-3-yl)methyl]-2-propylazepane?
The canonical SMILES for 2-[(1-cyclopentylpyrazol-3-yl)methyl]-2-propylazepane is CCCC1(Cc2ccn(C3CCCC3)n2)CCCCCN1.
What is the InChIKey of 2-[(1-cyclopentylpyrazol-3-yl)methyl]-2-propylazepane?
The InChIKey is UFGZJJLKKDSZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-2-11-18(12-6-3-7-13-19-18)15-16-10-14-21(20-16)17-8-4-5-9-17/h10,14,17,19H,2-9,11-13,15H2,1H3.
What are the key properties of 2-[(1-cyclopentylpyrazol-3-yl)methyl]-2-propylazepane?
2-[(1-cyclopentylpyrazol-3-yl)methyl]-2-propylazepane has a molecular weight of 289.47 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclopentylpyrazol-3-yl)methyl]-2-propylazepane is sourced from PubChem (CID 79119222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).