4-(4-phenylmethoxyphenyl)-1H-pyrazole

C16H14N2O — CID 52904810

IUPAC4-(4-phenylmethoxyphenyl)-1H-pyrazole
SMILESc1ccc(COc2ccc(-c3cn[nH]c3)cc2)cc1
InChIInChI=1S/C16H14N2O/c1-2-4-13(5-3-1)12-19-16-8-6-14(7-9-16)15-10-17-18-11-15/h1-11H,12H2,(H,17,18)
InChIKeyWEPICZVLHFRBBD-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.66
Rot. Bonds4

About 4-(4-phenylmethoxyphenyl)-1H-pyrazole

4-(4-phenylmethoxyphenyl)-1H-pyrazole (PubChem CID 52904810) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-(4-phenylmethoxyphenyl)-1H-pyrazole.

Molecular Properties

Compound Name4-(4-phenylmethoxyphenyl)-1H-pyrazole
PubChem CID52904810
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name4-(4-phenylmethoxyphenyl)-1H-pyrazole
SMILESc1ccc(COc2ccc(-c3cn[nH]c3)cc2)cc1
InChIInChI=1S/C16H14N2O/c1-2-4-13(5-3-1)12-19-16-8-6-14(7-9-16)15-10-17-18-11-15/h1-11H,12H2,(H,17,18)
InChIKeyWEPICZVLHFRBBD-UHFFFAOYSA-N
XLogP3.66
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylmethoxyphenyl)-1H-pyrazole?
The IUPAC name of 4-(4-phenylmethoxyphenyl)-1H-pyrazole (CID 52904810) is 4-(4-phenylmethoxyphenyl)-1H-pyrazole.
What is the SMILES notation for 4-(4-phenylmethoxyphenyl)-1H-pyrazole?
The canonical SMILES for 4-(4-phenylmethoxyphenyl)-1H-pyrazole is c1ccc(COc2ccc(-c3cn[nH]c3)cc2)cc1.
What is the InChIKey of 4-(4-phenylmethoxyphenyl)-1H-pyrazole?
The InChIKey is WEPICZVLHFRBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c1-2-4-13(5-3-1)12-19-16-8-6-14(7-9-16)15-10-17-18-11-15/h1-11H,12H2,(H,17,18).
What are the key properties of 4-(4-phenylmethoxyphenyl)-1H-pyrazole?
4-(4-phenylmethoxyphenyl)-1H-pyrazole has a molecular weight of 250.30 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylmethoxyphenyl)-1H-pyrazole is sourced from PubChem (CID 52904810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).