(1S)-1-[2-(4-phenylpyrazol-1-yl)phenyl]propan-1-ol

C18H18N2O — CID 103960389

IUPAC(1S)-1-[2-(4-phenylpyrazol-1-yl)phenyl]propan-1-ol
SMILESCC[C@H](O)c1ccccc1-n1cc(-c2ccccc2)cn1
InChIInChI=1S/C18H18N2O/c1-2-18(21)16-10-6-7-11-17(16)20-13-15(12-19-20)14-8-4-3-5-9-14/h3-13,18,21H,2H2,1H3/t18-/m0/s1
InChIKeyZZGPGIGVYXETMF-SFHVURJKSA-N
MW278.36 g/mol
LogP3.98
Rot. Bonds4

About (1S)-1-[2-(4-phenylpyrazol-1-yl)phenyl]propan-1-ol

(1S)-1-[2-(4-phenylpyrazol-1-yl)phenyl]propan-1-ol (PubChem CID 103960389) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is (1S)-1-[2-(4-phenylpyrazol-1-yl)phenyl]propan-1-ol.

Molecular Properties

Compound Name(1S)-1-[2-(4-phenylpyrazol-1-yl)phenyl]propan-1-ol
PubChem CID103960389
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name(1S)-1-[2-(4-phenylpyrazol-1-yl)phenyl]propan-1-ol
SMILESCC[C@H](O)c1ccccc1-n1cc(-c2ccccc2)cn1
InChIInChI=1S/C18H18N2O/c1-2-18(21)16-10-6-7-11-17(16)20-13-15(12-19-20)14-8-4-3-5-9-14/h3-13,18,21H,2H2,1H3/t18-/m0/s1
InChIKeyZZGPGIGVYXETMF-SFHVURJKSA-N
XLogP3.98
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(4-phenylpyrazol-1-yl)phenyl]propan-1-ol?
The IUPAC name of (1S)-1-[2-(4-phenylpyrazol-1-yl)phenyl]propan-1-ol (CID 103960389) is (1S)-1-[2-(4-phenylpyrazol-1-yl)phenyl]propan-1-ol.
What is the SMILES notation for (1S)-1-[2-(4-phenylpyrazol-1-yl)phenyl]propan-1-ol?
The canonical SMILES for (1S)-1-[2-(4-phenylpyrazol-1-yl)phenyl]propan-1-ol is CC[C@H](O)c1ccccc1-n1cc(-c2ccccc2)cn1.
What is the InChIKey of (1S)-1-[2-(4-phenylpyrazol-1-yl)phenyl]propan-1-ol?
The InChIKey is ZZGPGIGVYXETMF-SFHVURJKSA-N. The full InChI is InChI=1S/C18H18N2O/c1-2-18(21)16-10-6-7-11-17(16)20-13-15(12-19-20)14-8-4-3-5-9-14/h3-13,18,21H,2H2,1H3/t18-/m0/s1.
What are the key properties of (1S)-1-[2-(4-phenylpyrazol-1-yl)phenyl]propan-1-ol?
(1S)-1-[2-(4-phenylpyrazol-1-yl)phenyl]propan-1-ol has a molecular weight of 278.36 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(4-phenylpyrazol-1-yl)phenyl]propan-1-ol is sourced from PubChem (CID 103960389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).