1-[1-[(4-methoxyphenyl)methyl]-5-methylpyrazol-4-yl]ethanone

C14H16N2O2 — CID 138755640

IUPAC1-[1-[(4-methoxyphenyl)methyl]-5-methylpyrazol-4-yl]ethanone
SMILESCOc1ccc(Cn2ncc(C(C)=O)c2C)cc1
InChIInChI=1S/C14H16N2O2/c1-10-14(11(2)17)8-15-16(10)9-12-4-6-13(18-3)7-5-12/h4-8H,9H2,1-3H3
InChIKeyLSPOQLXHBUCIEZ-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.45
Rot. Bonds4

About 1-[1-[(4-methoxyphenyl)methyl]-5-methylpyrazol-4-yl]ethanone

1-[1-[(4-methoxyphenyl)methyl]-5-methylpyrazol-4-yl]ethanone (PubChem CID 138755640) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 1-[1-[(4-methoxyphenyl)methyl]-5-methylpyrazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[1-[(4-methoxyphenyl)methyl]-5-methylpyrazol-4-yl]ethanone
PubChem CID138755640
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name1-[1-[(4-methoxyphenyl)methyl]-5-methylpyrazol-4-yl]ethanone
SMILESCOc1ccc(Cn2ncc(C(C)=O)c2C)cc1
InChIInChI=1S/C14H16N2O2/c1-10-14(11(2)17)8-15-16(10)9-12-4-6-13(18-3)7-5-12/h4-8H,9H2,1-3H3
InChIKeyLSPOQLXHBUCIEZ-UHFFFAOYSA-N
XLogP2.45
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde
CID 792340
3-(4-methoxyphenyl)-N,N-dimethyl-1-phenyl-1H-pyrazole-4-carboxamide
CID 752166
N-benzyl-1-(2-cyanoethyl)-3-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 2529498
3-methyl-2-[1-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-3-yl]-1H-quinolin-4-one
CID 67607762
[4-(2-Methoxyphenyl)-1-piperidinyl]-(5-methyl-1-phenyl-4-pyrazolyl)methanone
CID 2810968
methyl 3-(4-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carboxylate
CID 740223
5-(4-Butoxy-phenyl)-1-methyl-1H-pyrazole
CID 11195591
(3-fluoro-4-methoxyphenyl){1-[(1-methyl-3-phenyl-1H-pyrazol-4-yl)methyl]-3-piperidinyl}methanone
CID 16191784
{1-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-3-piperidinyl}(3-methoxyphenyl)methanone
CID 16192028
(3-methoxyphenyl){1-[(5-methyl-1-propyl-1H-pyrazol-4-yl)methyl]-3-piperidinyl}methanone
CID 16192471
(E)-3-(dimethylamino)-2-(3,5-dimethylpyrazol-1-yl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 5937999
Ethyl 1-(4-methoxyphenyl)-5-methyl-1H-pyrazole-4-carboxylate
CID 4092364

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-methoxyphenyl)methyl]-5-methylpyrazol-4-yl]ethanone?
The IUPAC name of 1-[1-[(4-methoxyphenyl)methyl]-5-methylpyrazol-4-yl]ethanone (CID 138755640) is 1-[1-[(4-methoxyphenyl)methyl]-5-methylpyrazol-4-yl]ethanone.
What is the SMILES notation for 1-[1-[(4-methoxyphenyl)methyl]-5-methylpyrazol-4-yl]ethanone?
The canonical SMILES for 1-[1-[(4-methoxyphenyl)methyl]-5-methylpyrazol-4-yl]ethanone is COc1ccc(Cn2ncc(C(C)=O)c2C)cc1.
What is the InChIKey of 1-[1-[(4-methoxyphenyl)methyl]-5-methylpyrazol-4-yl]ethanone?
The InChIKey is LSPOQLXHBUCIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-10-14(11(2)17)8-15-16(10)9-12-4-6-13(18-3)7-5-12/h4-8H,9H2,1-3H3.
What are the key properties of 1-[1-[(4-methoxyphenyl)methyl]-5-methylpyrazol-4-yl]ethanone?
1-[1-[(4-methoxyphenyl)methyl]-5-methylpyrazol-4-yl]ethanone has a molecular weight of 244.29 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-methoxyphenyl)methyl]-5-methylpyrazol-4-yl]ethanone is sourced from PubChem (CID 138755640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).