4-[(4-methylphenoxy)methyl]-1-phenylpyrazole

C17H16N2O — CID 60710496

IUPAC4-[(4-methylphenoxy)methyl]-1-phenylpyrazole
SMILESCc1ccc(OCc2cnn(-c3ccccc3)c2)cc1
InChIInChI=1S/C17H16N2O/c1-14-7-9-17(10-8-14)20-13-15-11-18-19(12-15)16-5-3-2-4-6-16/h2-12H,13H2,1H3
InChIKeyFGMKLEFUYKPBDU-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.76
Rot. Bonds4

About 4-[(4-methylphenoxy)methyl]-1-phenylpyrazole

4-[(4-methylphenoxy)methyl]-1-phenylpyrazole (PubChem CID 60710496) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 4-[(4-methylphenoxy)methyl]-1-phenylpyrazole.

Molecular Properties

Compound Name4-[(4-methylphenoxy)methyl]-1-phenylpyrazole
PubChem CID60710496
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name4-[(4-methylphenoxy)methyl]-1-phenylpyrazole
SMILESCc1ccc(OCc2cnn(-c3ccccc3)c2)cc1
InChIInChI=1S/C17H16N2O/c1-14-7-9-17(10-8-14)20-13-15-11-18-19(12-15)16-5-3-2-4-6-16/h2-12H,13H2,1H3
InChIKeyFGMKLEFUYKPBDU-UHFFFAOYSA-N
XLogP3.76
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 ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-bromophenoxy)methyl]-1-phenylpyrazole
CID 43090504
4-[(4-chlorophenoxy)methyl]-1-phenylpyrazole
CID 60710740
1-phenyl-4-[(1-propylpyrazol-4-yl)oxymethyl]pyrazole
CID 116804941
2-[(1-phenylpyrazol-4-yl)methoxy]phenol
CID 43332182
N-[2-(4-methylphenoxy)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 38449360
3-chloro-5-[(1-phenylpyrazol-4-yl)methoxy]pyridazine
CID 171090153
2-methyl-1-[2-(4-methylphenoxy)ethyl]-3-[(1-phenylpyrazol-4-yl)methyl]guanidine
CID 111277497
4-(iodomethyl)-1-[3-(phenoxymethyl)phenyl]pyrazole
CID 126676613
4-[(4-fluorophenyl)methoxy]-1-phenylpyrazole
CID 117234072
fluoromethane;1-methyl-4-phenylmethoxybenzene
CID 91304163
4-[(3-methyl-2-nitrophenoxy)methyl]-1-phenylpyrazole
CID 112828258
1-phenyl-4-propylpyrazole
CID 12902534

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylphenoxy)methyl]-1-phenylpyrazole?
The IUPAC name of 4-[(4-methylphenoxy)methyl]-1-phenylpyrazole (CID 60710496) is 4-[(4-methylphenoxy)methyl]-1-phenylpyrazole.
What is the SMILES notation for 4-[(4-methylphenoxy)methyl]-1-phenylpyrazole?
The canonical SMILES for 4-[(4-methylphenoxy)methyl]-1-phenylpyrazole is Cc1ccc(OCc2cnn(-c3ccccc3)c2)cc1.
What is the InChIKey of 4-[(4-methylphenoxy)methyl]-1-phenylpyrazole?
The InChIKey is FGMKLEFUYKPBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-14-7-9-17(10-8-14)20-13-15-11-18-19(12-15)16-5-3-2-4-6-16/h2-12H,13H2,1H3.
What are the key properties of 4-[(4-methylphenoxy)methyl]-1-phenylpyrazole?
4-[(4-methylphenoxy)methyl]-1-phenylpyrazole has a molecular weight of 264.33 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylphenoxy)methyl]-1-phenylpyrazole is sourced from PubChem (CID 60710496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).