[1-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]azepan-2-yl]methanol

C13H24N4O — CID 116634087

IUPAC[1-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]azepan-2-yl]methanol
SMILESCc1nn(C)c(N2CCCCCC2CO)c1CN
InChIInChI=1S/C13H24N4O/c1-10-12(8-14)13(16(2)15-10)17-7-5-3-4-6-11(17)9-18/h11,18H,3-9,14H2,1-2H3
InChIKeyRDTFKLGRJGKCSJ-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.93
Rot. Bonds3

About [1-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]azepan-2-yl]methanol

[1-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]azepan-2-yl]methanol (PubChem CID 116634087) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is [1-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]azepan-2-yl]methanol.

Molecular Properties

Compound Name[1-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]azepan-2-yl]methanol
PubChem CID116634087
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name[1-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]azepan-2-yl]methanol
SMILESCc1nn(C)c(N2CCCCCC2CO)c1CN
InChIInChI=1S/C13H24N4O/c1-10-12(8-14)13(16(2)15-10)17-7-5-3-4-6-11(17)9-18/h11,18H,3-9,14H2,1-2H3
InChIKeyRDTFKLGRJGKCSJ-UHFFFAOYSA-N
XLogP0.93
TPSA67.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(2-ethylpyrrolidin-1-yl)-1,3-dimethylpyrazol-4-yl]methanamine
CID 60974475
[5-(2-ethylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]methanol
CID 43266645
2-[1,3-dimethyl-5-(2-propylpiperidin-1-yl)pyrazol-4-yl]ethanamine
CID 83057672
[1,3-dimethyl-5-(2-methylpiperidin-1-yl)pyrazol-4-yl]methanol
CID 43122104
[1-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]piperidin-3-yl]methanol
CID 43590482
2-[5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1,3-dimethylpyrazol-4-yl]ethanamine
CID 63784094
5-[2-(2-hydroxyethyl)piperidin-1-yl]-1,3-dimethylpyrazole-4-carbothioamide
CID 55242689
1-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-N-methylpiperidine-2-carboxamide
CID 54989738
1-[4-(chloromethyl)-1,3-dimethylpyrazol-5-yl]-2-methylpiperidine
CID 43122170
3-[1-(4-carbamoyl-1,3-dimethylpyrazol-5-yl)piperidin-2-yl]propanoic acid
CID 63758176
2-[1,3-dimethyl-5-(2-methylpyrrolidin-1-yl)pyrazol-4-yl]ethanamine
CID 63782509
[1,3-dimethyl-5-(3-methylpiperidin-1-yl)pyrazol-4-yl]methanamine
CID 43122238

Frequently Asked Questions

What is the IUPAC name of [1-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]azepan-2-yl]methanol?
The IUPAC name of [1-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]azepan-2-yl]methanol (CID 116634087) is [1-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]azepan-2-yl]methanol.
What is the SMILES notation for [1-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]azepan-2-yl]methanol?
The canonical SMILES for [1-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]azepan-2-yl]methanol is Cc1nn(C)c(N2CCCCCC2CO)c1CN.
What is the InChIKey of [1-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]azepan-2-yl]methanol?
The InChIKey is RDTFKLGRJGKCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-10-12(8-14)13(16(2)15-10)17-7-5-3-4-6-11(17)9-18/h11,18H,3-9,14H2,1-2H3.
What are the key properties of [1-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]azepan-2-yl]methanol?
[1-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]azepan-2-yl]methanol has a molecular weight of 252.36 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]azepan-2-yl]methanol is sourced from PubChem (CID 116634087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).