1-methyl-5-(3-phenylmethoxyphenyl)pyrazole

C17H16N2O — CID 175709836

IUPAC1-methyl-5-(3-phenylmethoxyphenyl)pyrazole
SMILESCn1nccc1-c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C17H16N2O/c1-19-17(10-11-18-19)15-8-5-9-16(12-15)20-13-14-6-3-2-4-7-14/h2-12H,13H2,1H3
InChIKeyAFWPUWZLKLUOKL-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.67
Rot. Bonds4

About 1-methyl-5-(3-phenylmethoxyphenyl)pyrazole

1-methyl-5-(3-phenylmethoxyphenyl)pyrazole (PubChem CID 175709836) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-methyl-5-(3-phenylmethoxyphenyl)pyrazole.

Molecular Properties

Compound Name1-methyl-5-(3-phenylmethoxyphenyl)pyrazole
PubChem CID175709836
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name1-methyl-5-(3-phenylmethoxyphenyl)pyrazole
SMILESCn1nccc1-c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C17H16N2O/c1-19-17(10-11-18-19)15-8-5-9-16(12-15)20-13-14-6-3-2-4-7-14/h2-12H,13H2,1H3
InChIKeyAFWPUWZLKLUOKL-UHFFFAOYSA-N
XLogP3.67
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(2-methylpyrazol-3-yl)phenoxy]butanoic acid
CID 146135655
ethyl 3-amino-3-[3-(2-methylpyrazol-3-yl)-5-phenylmethoxyphenyl]propanoate
CID 176910171
7-(3-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 11209321
2-[3-(2-methylpyrazol-3-yl)phenyl]ethanol
CID 171393091
4-[[3-(2-methylpyrazol-3-yl)phenyl]methoxy]pyridine-2,3,6-triamine
CID 126678943
1-methyl-5-[2-nitro-4,5-bis(phenylmethoxy)phenyl]pyrazole
CID 162504727
3-(3-phenylmethoxyphenyl)-2-propan-2-ylpyridine
CID 71204410
2-[2-(3-phenylmethoxyphenyl)imidazol-1-yl]ethanol
CID 56746066
tert-butyl 5-[3-[(3-phenylmethoxyphenyl)carbamoylamino]phenyl]pyrazole-1-carboxylate
CID 139434985
3-[4-(3-phenylmethoxyphenyl)pyrazol-1-yl]propan-1-ol
CID 172649346
[2-(3-phenylmethoxyphenyl)-4-pyridinyl]methanamine
CID 171365592
1-methyl-4-phenylmethoxypyrazole
CID 84661432

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(3-phenylmethoxyphenyl)pyrazole?
The IUPAC name of 1-methyl-5-(3-phenylmethoxyphenyl)pyrazole (CID 175709836) is 1-methyl-5-(3-phenylmethoxyphenyl)pyrazole.
What is the SMILES notation for 1-methyl-5-(3-phenylmethoxyphenyl)pyrazole?
The canonical SMILES for 1-methyl-5-(3-phenylmethoxyphenyl)pyrazole is Cn1nccc1-c1cccc(OCc2ccccc2)c1.
What is the InChIKey of 1-methyl-5-(3-phenylmethoxyphenyl)pyrazole?
The InChIKey is AFWPUWZLKLUOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-19-17(10-11-18-19)15-8-5-9-16(12-15)20-13-14-6-3-2-4-7-14/h2-12H,13H2,1H3.
What are the key properties of 1-methyl-5-(3-phenylmethoxyphenyl)pyrazole?
1-methyl-5-(3-phenylmethoxyphenyl)pyrazole has a molecular weight of 264.33 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(3-phenylmethoxyphenyl)pyrazole is sourced from PubChem (CID 175709836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).