[1-[2-(4-aminopyrazol-1-yl)ethyl]azepan-2-yl]methanol

C12H22N4O — CID 116634203

IUPAC[1-[2-(4-aminopyrazol-1-yl)ethyl]azepan-2-yl]methanol
SMILESNc1cnn(CCN2CCCCCC2CO)c1
InChIInChI=1S/C12H22N4O/c13-11-8-14-16(9-11)7-6-15-5-3-1-2-4-12(15)10-17/h8-9,12,17H,1-7,10,13H2
InChIKeyFBWGVNHLYKTKLI-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.70
Rot. Bonds4

About [1-[2-(4-aminopyrazol-1-yl)ethyl]azepan-2-yl]methanol

[1-[2-(4-aminopyrazol-1-yl)ethyl]azepan-2-yl]methanol (PubChem CID 116634203) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is [1-[2-(4-aminopyrazol-1-yl)ethyl]azepan-2-yl]methanol.

Molecular Properties

Compound Name[1-[2-(4-aminopyrazol-1-yl)ethyl]azepan-2-yl]methanol
PubChem CID116634203
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name[1-[2-(4-aminopyrazol-1-yl)ethyl]azepan-2-yl]methanol
SMILESNc1cnn(CCN2CCCCCC2CO)c1
InChIInChI=1S/C12H22N4O/c13-11-8-14-16(9-11)7-6-15-5-3-1-2-4-12(15)10-17/h8-9,12,17H,1-7,10,13H2
InChIKeyFBWGVNHLYKTKLI-UHFFFAOYSA-N
XLogP0.70
TPSA67.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(2-ethylazepan-1-yl)ethyl]pyrazol-4-amine
CID 104688946
1-[(1-methylpiperidin-2-yl)methyl]pyrazol-4-amine
CID 170985114
[1-[2-(4-aminophenyl)ethyl]azepan-2-yl]methanol
CID 116634212
[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]methanol
CID 60685295
[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-2-yl]methanol
CID 62128080
1-[2-(dicyclohexylamino)ethyl]pyrazol-4-amine
CID 62139355
1-[2-(3-ethylmorpholin-4-yl)ethyl]pyrazol-4-amine
CID 62138816
1-[2-(4-aminopyrazol-1-yl)ethyl]-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103194848
3-[1-[2-(4-bromopyrazol-1-yl)ethyl]pyrrolidin-2-yl]propan-1-ol
CID 111116526
1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]pyrazol-4-amine
CID 63171536
[1-(2-pyridin-4-ylethyl)azepan-2-yl]methanol
CID 116637315
[1-(2-cyclohexylethyl)azepan-2-yl]methanol
CID 114192428

Frequently Asked Questions

What is the IUPAC name of [1-[2-(4-aminopyrazol-1-yl)ethyl]azepan-2-yl]methanol?
The IUPAC name of [1-[2-(4-aminopyrazol-1-yl)ethyl]azepan-2-yl]methanol (CID 116634203) is [1-[2-(4-aminopyrazol-1-yl)ethyl]azepan-2-yl]methanol.
What is the SMILES notation for [1-[2-(4-aminopyrazol-1-yl)ethyl]azepan-2-yl]methanol?
The canonical SMILES for [1-[2-(4-aminopyrazol-1-yl)ethyl]azepan-2-yl]methanol is Nc1cnn(CCN2CCCCCC2CO)c1.
What is the InChIKey of [1-[2-(4-aminopyrazol-1-yl)ethyl]azepan-2-yl]methanol?
The InChIKey is FBWGVNHLYKTKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c13-11-8-14-16(9-11)7-6-15-5-3-1-2-4-12(15)10-17/h8-9,12,17H,1-7,10,13H2.
What are the key properties of [1-[2-(4-aminopyrazol-1-yl)ethyl]azepan-2-yl]methanol?
[1-[2-(4-aminopyrazol-1-yl)ethyl]azepan-2-yl]methanol has a molecular weight of 238.33 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(4-aminopyrazol-1-yl)ethyl]azepan-2-yl]methanol is sourced from PubChem (CID 116634203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).