azepan-2-yl(1H-pyrazol-4-yl)methanol

C10H17N3O — CID 164649483

IUPACazepan-2-yl(1H-pyrazol-4-yl)methanol
SMILESOC(c1cn[nH]c1)C1CCCCCN1
InChIInChI=1S/C10H17N3O/c14-10(8-6-12-13-7-8)9-4-2-1-3-5-11-9/h6-7,9-11,14H,1-5H2,(H,12,13)
InChIKeyQUJHOWQLGPDNCD-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.98
Rot. Bonds2

About azepan-2-yl(1H-pyrazol-4-yl)methanol

azepan-2-yl(1H-pyrazol-4-yl)methanol (PubChem CID 164649483) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is azepan-2-yl(1H-pyrazol-4-yl)methanol.

Molecular Properties

Compound Nameazepan-2-yl(1H-pyrazol-4-yl)methanol
PubChem CID164649483
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Nameazepan-2-yl(1H-pyrazol-4-yl)methanol
SMILESOC(c1cn[nH]c1)C1CCCCCN1
InChIInChI=1S/C10H17N3O/c14-10(8-6-12-13-7-8)9-4-2-1-3-5-11-9/h6-7,9-11,14H,1-5H2,(H,12,13)
InChIKeyQUJHOWQLGPDNCD-UHFFFAOYSA-N
XLogP0.98
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of azepan-2-yl(1H-pyrazol-4-yl)methanol?
The IUPAC name of azepan-2-yl(1H-pyrazol-4-yl)methanol (CID 164649483) is azepan-2-yl(1H-pyrazol-4-yl)methanol.
What is the SMILES notation for azepan-2-yl(1H-pyrazol-4-yl)methanol?
The canonical SMILES for azepan-2-yl(1H-pyrazol-4-yl)methanol is OC(c1cn[nH]c1)C1CCCCCN1.
What is the InChIKey of azepan-2-yl(1H-pyrazol-4-yl)methanol?
The InChIKey is QUJHOWQLGPDNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c14-10(8-6-12-13-7-8)9-4-2-1-3-5-11-9/h6-7,9-11,14H,1-5H2,(H,12,13).
What are the key properties of azepan-2-yl(1H-pyrazol-4-yl)methanol?
azepan-2-yl(1H-pyrazol-4-yl)methanol has a molecular weight of 195.27 g/mol, XLogP of 0.98, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-2-yl(1H-pyrazol-4-yl)methanol is sourced from PubChem (CID 164649483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).