1-[2-(4-aminopyrazol-1-yl)ethyl]-4-methylazepan-4-ol

C12H22N4O — CID 107403897

IUPAC1-[2-(4-aminopyrazol-1-yl)ethyl]-4-methylazepan-4-ol
SMILESCC1(O)CCCN(CCn2cc(N)cn2)CC1
InChIInChI=1S/C12H22N4O/c1-12(17)3-2-5-15(6-4-12)7-8-16-10-11(13)9-14-16/h9-10,17H,2-8,13H2,1H3
InChIKeyNCJZDNNLWLABRG-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.70
Rot. Bonds3

About 1-[2-(4-aminopyrazol-1-yl)ethyl]-4-methylazepan-4-ol

1-[2-(4-aminopyrazol-1-yl)ethyl]-4-methylazepan-4-ol (PubChem CID 107403897) 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]-4-methylazepan-4-ol.

Molecular Properties

Compound Name1-[2-(4-aminopyrazol-1-yl)ethyl]-4-methylazepan-4-ol
PubChem CID107403897
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name1-[2-(4-aminopyrazol-1-yl)ethyl]-4-methylazepan-4-ol
SMILESCC1(O)CCCN(CCn2cc(N)cn2)CC1
InChIInChI=1S/C12H22N4O/c1-12(17)3-2-5-15(6-4-12)7-8-16-10-11(13)9-14-16/h9-10,17H,2-8,13H2,1H3
InChIKeyNCJZDNNLWLABRG-UHFFFAOYSA-N
XLogP0.70
TPSA67.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
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

2-(4-aminopyrazol-1-yl)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 81096183
1-(2-thiomorpholin-4-ylethyl)pyrazol-4-amine
CID 62137692
1-[2-(3,3-dimethoxyazetidin-1-yl)ethyl]pyrazol-4-amine
CID 115319964
1-[2-(3,3-dimethylmorpholin-4-yl)ethyl]pyrazol-4-amine
CID 62137880
1-[2-(4-tert-butylpiperidin-1-yl)ethyl]pyrazol-4-amine
CID 62138262
4-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]azepan-4-ol
CID 107408049
1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]pyrazol-4-amine
CID 63171536
1-[(1-methylcyclohexyl)methyl]pyrazol-4-amine
CID 165479848
4-methyl-1-(2-phenylethyl)azepan-4-ol
CID 107408153
1-[(1-ethylpyrazol-4-yl)methyl]-4-methylpiperidin-4-ol
CID 81114923
1-(3-chloropropyl)-4-methylazepan-4-ol
CID 107407609
1-[2-(4-aminopyrazol-1-yl)ethyl]piperidin-3-ol;1-[2-(4-nitropyrazol-1-yl)ethyl]piperidin-3-ol
CID 162086234

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-aminopyrazol-1-yl)ethyl]-4-methylazepan-4-ol?
The IUPAC name of 1-[2-(4-aminopyrazol-1-yl)ethyl]-4-methylazepan-4-ol (CID 107403897) is 1-[2-(4-aminopyrazol-1-yl)ethyl]-4-methylazepan-4-ol.
What is the SMILES notation for 1-[2-(4-aminopyrazol-1-yl)ethyl]-4-methylazepan-4-ol?
The canonical SMILES for 1-[2-(4-aminopyrazol-1-yl)ethyl]-4-methylazepan-4-ol is CC1(O)CCCN(CCn2cc(N)cn2)CC1.
What is the InChIKey of 1-[2-(4-aminopyrazol-1-yl)ethyl]-4-methylazepan-4-ol?
The InChIKey is NCJZDNNLWLABRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-12(17)3-2-5-15(6-4-12)7-8-16-10-11(13)9-14-16/h9-10,17H,2-8,13H2,1H3.
What are the key properties of 1-[2-(4-aminopyrazol-1-yl)ethyl]-4-methylazepan-4-ol?
1-[2-(4-aminopyrazol-1-yl)ethyl]-4-methylazepan-4-ol has a molecular weight of 238.33 g/mol, XLogP of 0.70, 3 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]-4-methylazepan-4-ol is sourced from PubChem (CID 107403897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).