1-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]ethanone

C13H14N2O — CID 170580245

IUPAC1-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]ethanone
SMILESCC(=O)c1ccc(Cn2cc(C)cn2)cc1
InChIInChI=1S/C13H14N2O/c1-10-7-14-15(8-10)9-12-3-5-13(6-4-12)11(2)16/h3-8H,9H2,1-2H3
InChIKeyRFVBKNQMIGFSRX-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.44
Rot. Bonds3

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

1-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]ethanone (PubChem CID 170580245) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 1-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]ethanone
PubChem CID170580245
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name1-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]ethanone
SMILESCC(=O)c1ccc(Cn2cc(C)cn2)cc1
InChIInChI=1S/C13H14N2O/c1-10-7-14-15(8-10)9-12-3-5-13(6-4-12)11(2)16/h3-8H,9H2,1-2H3
InChIKeyRFVBKNQMIGFSRX-UHFFFAOYSA-N
XLogP2.44
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-[[4-(nitrosomethyl)phenyl]methyl]pyrazole
CID 134423680
trimethyl-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]silane
CID 103438533
[4-(chloromethyl)phenyl]methanol;[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methanol
CID 158250652
1-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]ethanone
CID 83894143
5-[(4-methylpyrazol-1-yl)methyl]pyridine-2-carboxylic acid
CID 170756022
1-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]ethanone
CID 62727631
2-chloro-5-[(4-methylpyrazol-1-yl)methyl]pyridine
CID 60872723
1-(2-hydroxyethyl)-3-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]urea
CID 111111772
11-[(4-methylpyrazol-1-yl)methyl]-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9(14),10,12-hexaene-4-carboxylic acid
CID 140757488
1-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]triazole
CID 118871359
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-(4-methylpyrazol-1-yl)acetamide
CID 19526387
4-[(4-ethylpyrazol-1-yl)methyl]benzoic acid
CID 130219911

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]ethanone?
The IUPAC name of 1-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]ethanone (CID 170580245) is 1-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]ethanone is CC(=O)c1ccc(Cn2cc(C)cn2)cc1.
What is the InChIKey of 1-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]ethanone?
The InChIKey is RFVBKNQMIGFSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-10-7-14-15(8-10)9-12-3-5-13(6-4-12)11(2)16/h3-8H,9H2,1-2H3.
What are the key properties of 1-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]ethanone?
1-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]ethanone has a molecular weight of 214.27 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]ethanone is sourced from PubChem (CID 170580245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).