1-[2-methyl-4-(4-methylphenoxy)phenyl]-2-pyrazol-1-ylethanone

C19H18N2O2 — CID 90208962

IUPAC1-[2-methyl-4-(4-methylphenoxy)phenyl]-2-pyrazol-1-ylethanone
SMILESCc1ccc(Oc2ccc(C(=O)Cn3cccn3)c(C)c2)cc1
InChIInChI=1S/C19H18N2O2/c1-14-4-6-16(7-5-14)23-17-8-9-18(15(2)12-17)19(22)13-21-11-3-10-20-21/h3-12H,13H2,1-2H3
InChIKeyVGWZXBHYJJDDFD-UHFFFAOYSA-N
MW306.37 g/mol
LogP4.18
Rot. Bonds5

About 1-[2-methyl-4-(4-methylphenoxy)phenyl]-2-pyrazol-1-ylethanone

1-[2-methyl-4-(4-methylphenoxy)phenyl]-2-pyrazol-1-ylethanone (PubChem CID 90208962) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 1-[2-methyl-4-(4-methylphenoxy)phenyl]-2-pyrazol-1-ylethanone.

Molecular Properties

Compound Name1-[2-methyl-4-(4-methylphenoxy)phenyl]-2-pyrazol-1-ylethanone
PubChem CID90208962
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name1-[2-methyl-4-(4-methylphenoxy)phenyl]-2-pyrazol-1-ylethanone
SMILESCc1ccc(Oc2ccc(C(=O)Cn3cccn3)c(C)c2)cc1
InChIInChI=1S/C19H18N2O2/c1-14-4-6-16(7-5-14)23-17-8-9-18(15(2)12-17)19(22)13-21-11-3-10-20-21/h3-12H,13H2,1-2H3
InChIKeyVGWZXBHYJJDDFD-UHFFFAOYSA-N
XLogP4.18
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-difluorophenyl)-2-pyrazol-1-ylethanone
CID 21253998
2-methoxy-1-(2-methyl-4-phenoxyphenyl)ethanone
CID 82051086
4-(2-methyl-4-phenoxyphenyl)-4-oxobutanoic acid
CID 82051081
2-(diethylamino)-1-(2-methyl-4-phenoxyphenyl)ethanone
CID 82051101
1-(2,4-dimethylphenyl)-2-(4-phenoxyphenoxy)ethanone
CID 2462834
[4-[3-[4-(4-methylbenzoyl)phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone
CID 90192164
N-(3-phenoxyphenyl)-2-pyrazol-1-ylacetamide
CID 51272460
[4-(4-methylphenoxy)phenyl]-(4-methylphenyl)methanone
CID 22389585
1-[2-chloro-4-(2,4,6-trimethylphenoxy)phenyl]-2-(1,2,4-triazol-1-yl)ethanone
CID 90161958
1-(2-hydroxy-5-methylphenyl)-3-pyrazol-1-ylpropan-1-one
CID 6424461
1,2-dimethyl-4-(4-methylphenoxy)benzene
CID 15324949
[4-(4-methylphenoxy)phenyl]-(4-phenoxyphenyl)methanone
CID 139804572

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-4-(4-methylphenoxy)phenyl]-2-pyrazol-1-ylethanone?
The IUPAC name of 1-[2-methyl-4-(4-methylphenoxy)phenyl]-2-pyrazol-1-ylethanone (CID 90208962) is 1-[2-methyl-4-(4-methylphenoxy)phenyl]-2-pyrazol-1-ylethanone.
What is the SMILES notation for 1-[2-methyl-4-(4-methylphenoxy)phenyl]-2-pyrazol-1-ylethanone?
The canonical SMILES for 1-[2-methyl-4-(4-methylphenoxy)phenyl]-2-pyrazol-1-ylethanone is Cc1ccc(Oc2ccc(C(=O)Cn3cccn3)c(C)c2)cc1.
What is the InChIKey of 1-[2-methyl-4-(4-methylphenoxy)phenyl]-2-pyrazol-1-ylethanone?
The InChIKey is VGWZXBHYJJDDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-14-4-6-16(7-5-14)23-17-8-9-18(15(2)12-17)19(22)13-21-11-3-10-20-21/h3-12H,13H2,1-2H3.
What are the key properties of 1-[2-methyl-4-(4-methylphenoxy)phenyl]-2-pyrazol-1-ylethanone?
1-[2-methyl-4-(4-methylphenoxy)phenyl]-2-pyrazol-1-ylethanone has a molecular weight of 306.37 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-4-(4-methylphenoxy)phenyl]-2-pyrazol-1-ylethanone is sourced from PubChem (CID 90208962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).