azepan-2-yl-(3-tert-butyl-1-methylpyrazol-4-yl)methanol

C15H27N3O — CID 83090215

IUPACazepan-2-yl-(3-tert-butyl-1-methylpyrazol-4-yl)methanol
SMILESCn1cc(C(O)C2CCCCCN2)c(C(C)(C)C)n1
InChIInChI=1S/C15H27N3O/c1-15(2,3)14-11(10-18(4)17-14)13(19)12-8-6-5-7-9-16-12/h10,12-13,16,19H,5-9H2,1-4H3
InChIKeyZPYWVRXNOGSGTJ-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.28
Rot. Bonds2

About azepan-2-yl-(3-tert-butyl-1-methylpyrazol-4-yl)methanol

azepan-2-yl-(3-tert-butyl-1-methylpyrazol-4-yl)methanol (PubChem CID 83090215) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is azepan-2-yl-(3-tert-butyl-1-methylpyrazol-4-yl)methanol.

Molecular Properties

Compound Nameazepan-2-yl-(3-tert-butyl-1-methylpyrazol-4-yl)methanol
PubChem CID83090215
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Nameazepan-2-yl-(3-tert-butyl-1-methylpyrazol-4-yl)methanol
SMILESCn1cc(C(O)C2CCCCCN2)c(C(C)(C)C)n1
InChIInChI=1S/C15H27N3O/c1-15(2,3)14-11(10-18(4)17-14)13(19)12-8-6-5-7-9-16-12/h10,12-13,16,19H,5-9H2,1-4H3
InChIKeyZPYWVRXNOGSGTJ-UHFFFAOYSA-N
XLogP2.28
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-tert-butyl-1-methylpyrazol-4-yl)-2-cyclopentylethanol
CID 83090014
azepan-2-yl-(3-methylimidazol-4-yl)methanol
CID 66117137
3-(1-methylpyrazol-4-yl)-1-piperidin-2-ylpropan-1-ol
CID 106634544
cyclohexyl-(1,3-dimethylpyrazol-4-yl)methanol
CID 83090918
2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(cyclohexylamino)acetonitrile
CID 83089771
(3-tert-butyl-1-methylpyrazol-4-yl)-(cyclohexen-1-yl)methanol
CID 106651526
2-[azepan-2-yl(hydroxy)methyl]phenol
CID 84686926
2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(cyclopentylamino)acetonitrile
CID 83089524
[2-methyl-4-(trifluoromethyl)phenyl]-piperidin-2-ylmethanol
CID 106634718
2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(2-ethylpiperidin-1-yl)ethanamine
CID 83090524
2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-chloro-N-cyclopropylacetamide
CID 83094856
piperidin-2-yl-(3-propylimidazol-4-yl)methanol
CID 66129642

Frequently Asked Questions

What is the IUPAC name of azepan-2-yl-(3-tert-butyl-1-methylpyrazol-4-yl)methanol?
The IUPAC name of azepan-2-yl-(3-tert-butyl-1-methylpyrazol-4-yl)methanol (CID 83090215) is azepan-2-yl-(3-tert-butyl-1-methylpyrazol-4-yl)methanol.
What is the SMILES notation for azepan-2-yl-(3-tert-butyl-1-methylpyrazol-4-yl)methanol?
The canonical SMILES for azepan-2-yl-(3-tert-butyl-1-methylpyrazol-4-yl)methanol is Cn1cc(C(O)C2CCCCCN2)c(C(C)(C)C)n1.
What is the InChIKey of azepan-2-yl-(3-tert-butyl-1-methylpyrazol-4-yl)methanol?
The InChIKey is ZPYWVRXNOGSGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-15(2,3)14-11(10-18(4)17-14)13(19)12-8-6-5-7-9-16-12/h10,12-13,16,19H,5-9H2,1-4H3.
What are the key properties of azepan-2-yl-(3-tert-butyl-1-methylpyrazol-4-yl)methanol?
azepan-2-yl-(3-tert-butyl-1-methylpyrazol-4-yl)methanol has a molecular weight of 265.40 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-2-yl-(3-tert-butyl-1-methylpyrazol-4-yl)methanol is sourced from PubChem (CID 83090215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).