1-[1-[(1-ethylpyrazol-4-yl)methyl]azepan-2-yl]propan-2-ol

C15H27N3O — CID 114338918

IUPAC1-[1-[(1-ethylpyrazol-4-yl)methyl]azepan-2-yl]propan-2-ol
SMILESCCn1cc(CN2CCCCCC2CC(C)O)cn1
InChIInChI=1S/C15H27N3O/c1-3-18-12-14(10-16-18)11-17-8-6-4-5-7-15(17)9-13(2)19/h10,12-13,15,19H,3-9,11H2,1-2H3
InChIKeyAZPVAMLMTAHMKP-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.42
Rot. Bonds5

About 1-[1-[(1-ethylpyrazol-4-yl)methyl]azepan-2-yl]propan-2-ol

1-[1-[(1-ethylpyrazol-4-yl)methyl]azepan-2-yl]propan-2-ol (PubChem CID 114338918) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-[1-[(1-ethylpyrazol-4-yl)methyl]azepan-2-yl]propan-2-ol.

Molecular Properties

Compound Name1-[1-[(1-ethylpyrazol-4-yl)methyl]azepan-2-yl]propan-2-ol
PubChem CID114338918
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name1-[1-[(1-ethylpyrazol-4-yl)methyl]azepan-2-yl]propan-2-ol
SMILESCCn1cc(CN2CCCCCC2CC(C)O)cn1
InChIInChI=1S/C15H27N3O/c1-3-18-12-14(10-16-18)11-17-8-6-4-5-7-15(17)9-13(2)19/h10,12-13,15,19H,3-9,11H2,1-2H3
InChIKeyAZPVAMLMTAHMKP-UHFFFAOYSA-N
XLogP2.42
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-2-yl]methanol
CID 62128080
1-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-2-yl]-N-methylmethanamine
CID 62126735
1-[(1-ethylpyrazol-4-yl)methyl]-N'-hydroxypiperidine-2-carboximidamide
CID 77036051
(2S)-2-(1,3-dioxolan-2-yl)-1-[(1-ethylpyrazol-4-yl)methyl]piperidine
CID 97158796
(1S)-1-(furan-2-yl)-2-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]azepan-2-yl]ethanol
CID 97224996
1-(1-ethylpiperidin-2-yl)propan-2-ol
CID 21153789
4-[2-[(2R)-1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]ethyl]pyridine
CID 124948812
N-[[4-[(1-ethylpyrazol-4-yl)methyl]morpholin-3-yl]methyl]propan-2-amine
CID 83099773
(1-ethylpyrazol-4-yl)-[2-(2-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 75431671
2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-2-yl]cyclohexan-1-one
CID 79536816
[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]methanol
CID 60685295
4-[[2-(2-hydroxypropyl)piperidin-1-yl]methyl]benzoic acid
CID 114337900

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(1-ethylpyrazol-4-yl)methyl]azepan-2-yl]propan-2-ol?
The IUPAC name of 1-[1-[(1-ethylpyrazol-4-yl)methyl]azepan-2-yl]propan-2-ol (CID 114338918) is 1-[1-[(1-ethylpyrazol-4-yl)methyl]azepan-2-yl]propan-2-ol.
What is the SMILES notation for 1-[1-[(1-ethylpyrazol-4-yl)methyl]azepan-2-yl]propan-2-ol?
The canonical SMILES for 1-[1-[(1-ethylpyrazol-4-yl)methyl]azepan-2-yl]propan-2-ol is CCn1cc(CN2CCCCCC2CC(C)O)cn1.
What is the InChIKey of 1-[1-[(1-ethylpyrazol-4-yl)methyl]azepan-2-yl]propan-2-ol?
The InChIKey is AZPVAMLMTAHMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-3-18-12-14(10-16-18)11-17-8-6-4-5-7-15(17)9-13(2)19/h10,12-13,15,19H,3-9,11H2,1-2H3.
What are the key properties of 1-[1-[(1-ethylpyrazol-4-yl)methyl]azepan-2-yl]propan-2-ol?
1-[1-[(1-ethylpyrazol-4-yl)methyl]azepan-2-yl]propan-2-ol has a molecular weight of 265.40 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(1-ethylpyrazol-4-yl)methyl]azepan-2-yl]propan-2-ol is sourced from PubChem (CID 114338918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).