2-(4-phenylpyrazol-1-yl)cycloheptan-1-ol

C16H20N2O — CID 62770073

IUPAC2-(4-phenylpyrazol-1-yl)cycloheptan-1-ol
SMILESOC1CCCCCC1n1cc(-c2ccccc2)cn1
InChIInChI=1S/C16H20N2O/c19-16-10-6-2-5-9-15(16)18-12-14(11-17-18)13-7-3-1-4-8-13/h1,3-4,7-8,11-12,15-16,19H,2,5-6,9-10H2
InChIKeyDXWGQRUWVMDGIG-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.42
Rot. Bonds2

About 2-(4-phenylpyrazol-1-yl)cycloheptan-1-ol

2-(4-phenylpyrazol-1-yl)cycloheptan-1-ol (PubChem CID 62770073) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-(4-phenylpyrazol-1-yl)cycloheptan-1-ol.

Molecular Properties

Compound Name2-(4-phenylpyrazol-1-yl)cycloheptan-1-ol
PubChem CID62770073
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name2-(4-phenylpyrazol-1-yl)cycloheptan-1-ol
SMILESOC1CCCCCC1n1cc(-c2ccccc2)cn1
InChIInChI=1S/C16H20N2O/c19-16-10-6-2-5-9-15(16)18-12-14(11-17-18)13-7-3-1-4-8-13/h1,3-4,7-8,11-12,15-16,19H,2,5-6,9-10H2
InChIKeyDXWGQRUWVMDGIG-UHFFFAOYSA-N
XLogP3.42
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylpyrazol-1-yl)cycloheptan-1-ol?
The IUPAC name of 2-(4-phenylpyrazol-1-yl)cycloheptan-1-ol (CID 62770073) is 2-(4-phenylpyrazol-1-yl)cycloheptan-1-ol.
What is the SMILES notation for 2-(4-phenylpyrazol-1-yl)cycloheptan-1-ol?
The canonical SMILES for 2-(4-phenylpyrazol-1-yl)cycloheptan-1-ol is OC1CCCCCC1n1cc(-c2ccccc2)cn1.
What is the InChIKey of 2-(4-phenylpyrazol-1-yl)cycloheptan-1-ol?
The InChIKey is DXWGQRUWVMDGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c19-16-10-6-2-5-9-15(16)18-12-14(11-17-18)13-7-3-1-4-8-13/h1,3-4,7-8,11-12,15-16,19H,2,5-6,9-10H2.
What are the key properties of 2-(4-phenylpyrazol-1-yl)cycloheptan-1-ol?
2-(4-phenylpyrazol-1-yl)cycloheptan-1-ol has a molecular weight of 256.35 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylpyrazol-1-yl)cycloheptan-1-ol is sourced from PubChem (CID 62770073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).