5-(3-methoxyphenyl)-1-phenylpyrazole

C16H14N2O — CID 44632701

IUPAC5-(3-methoxyphenyl)-1-phenylpyrazole
SMILESCOc1cccc(-c2ccnn2-c2ccccc2)c1
InChIInChI=1S/C16H14N2O/c1-19-15-9-5-6-13(12-15)16-10-11-17-18(16)14-7-3-2-4-8-14/h2-12H,1H3
InChIKeyPKCXBBLSUUNWCY-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.55
Rot. Bonds3

About 5-(3-methoxyphenyl)-1-phenylpyrazole

5-(3-methoxyphenyl)-1-phenylpyrazole (PubChem CID 44632701) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-1-phenylpyrazole.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-1-phenylpyrazole
PubChem CID44632701
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name5-(3-methoxyphenyl)-1-phenylpyrazole
SMILESCOc1cccc(-c2ccnn2-c2ccccc2)c1
InChIInChI=1S/C16H14N2O/c1-19-15-9-5-6-13(12-15)16-10-11-17-18(16)14-7-3-2-4-8-14/h2-12H,1H3
InChIKeyPKCXBBLSUUNWCY-UHFFFAOYSA-N
XLogP3.55
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 90030830
5-(3-methoxyphenyl)-1-[4-(pyrrolidin-1-ylmethyl)phenyl]pyrazole
CID 70981613
6-[5-(3-methoxyphenyl)pyrazol-1-yl]-1H-indazole
CID 70981884
1,5-bis(4-methoxyphenyl)pyrazole
CID 57058186
5-methoxy-2-[2-(3-methoxyphenyl)pyrazol-3-yl]phenol
CID 135520262
5-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)pyrazole
CID 22171007
5-bromo-1-(3-methoxyphenyl)pyrazole
CID 112693887
2-methyl-4-(2-phenylpyrazol-3-yl)aniline
CID 107331021
1-[3-(2-phenylpyrazol-3-yl)phenyl]propan-1-one
CID 107331042
2-methyl-5-(2-phenylpyrazol-3-yl)aniline
CID 107331025
5-(3-methoxyphenyl)-3-phenyltriazol-4-amine
CID 14612161
5-(2-phenylpyrazol-3-yl)benzene-1,2,3-triol
CID 135923293

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-1-phenylpyrazole?
The IUPAC name of 5-(3-methoxyphenyl)-1-phenylpyrazole (CID 44632701) is 5-(3-methoxyphenyl)-1-phenylpyrazole.
What is the SMILES notation for 5-(3-methoxyphenyl)-1-phenylpyrazole?
The canonical SMILES for 5-(3-methoxyphenyl)-1-phenylpyrazole is COc1cccc(-c2ccnn2-c2ccccc2)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-1-phenylpyrazole?
The InChIKey is PKCXBBLSUUNWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c1-19-15-9-5-6-13(12-15)16-10-11-17-18(16)14-7-3-2-4-8-14/h2-12H,1H3.
What are the key properties of 5-(3-methoxyphenyl)-1-phenylpyrazole?
5-(3-methoxyphenyl)-1-phenylpyrazole has a molecular weight of 250.30 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-1-phenylpyrazole is sourced from PubChem (CID 44632701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).