azepan-2-yl-(2-ethylpyrazol-3-yl)methanol

C12H21N3O — CID 114556898

IUPACazepan-2-yl-(2-ethylpyrazol-3-yl)methanol
SMILESCCn1nccc1C(O)C1CCCCCN1
InChIInChI=1S/C12H21N3O/c1-2-15-11(7-9-14-15)12(16)10-6-4-3-5-8-13-10/h7,9-10,12-13,16H,2-6,8H2,1H3
InChIKeyJCWBQNDTQDPDOF-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.47
Rot. Bonds3

About azepan-2-yl-(2-ethylpyrazol-3-yl)methanol

azepan-2-yl-(2-ethylpyrazol-3-yl)methanol (PubChem CID 114556898) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is azepan-2-yl-(2-ethylpyrazol-3-yl)methanol.

Molecular Properties

Compound Nameazepan-2-yl-(2-ethylpyrazol-3-yl)methanol
PubChem CID114556898
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Nameazepan-2-yl-(2-ethylpyrazol-3-yl)methanol
SMILESCCn1nccc1C(O)C1CCCCCN1
InChIInChI=1S/C12H21N3O/c1-2-15-11(7-9-14-15)12(16)10-6-4-3-5-8-13-10/h7,9-10,12-13,16H,2-6,8H2,1H3
InChIKeyJCWBQNDTQDPDOF-UHFFFAOYSA-N
XLogP1.47
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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1-cyclopentyl-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine
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1,4-dioxan-2-yl-(2-ethylpyrazol-3-yl)methanol
CID 65350804
1,4-dithian-2-yl-(2-ethylpyrazol-3-yl)methanol
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CID 79087393

Frequently Asked Questions

What is the IUPAC name of azepan-2-yl-(2-ethylpyrazol-3-yl)methanol?
The IUPAC name of azepan-2-yl-(2-ethylpyrazol-3-yl)methanol (CID 114556898) is azepan-2-yl-(2-ethylpyrazol-3-yl)methanol.
What is the SMILES notation for azepan-2-yl-(2-ethylpyrazol-3-yl)methanol?
The canonical SMILES for azepan-2-yl-(2-ethylpyrazol-3-yl)methanol is CCn1nccc1C(O)C1CCCCCN1.
What is the InChIKey of azepan-2-yl-(2-ethylpyrazol-3-yl)methanol?
The InChIKey is JCWBQNDTQDPDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-2-15-11(7-9-14-15)12(16)10-6-4-3-5-8-13-10/h7,9-10,12-13,16H,2-6,8H2,1H3.
What are the key properties of azepan-2-yl-(2-ethylpyrazol-3-yl)methanol?
azepan-2-yl-(2-ethylpyrazol-3-yl)methanol has a molecular weight of 223.32 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-2-yl-(2-ethylpyrazol-3-yl)methanol is sourced from PubChem (CID 114556898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).