(3-benzyl-5-methylpyrazol-1-yl)-phenylmethanone

C18H16N2O — CID 102487882

IUPAC(3-benzyl-5-methylpyrazol-1-yl)-phenylmethanone
SMILESCc1cc(Cc2ccccc2)nn1C(=O)c1ccccc1
InChIInChI=1S/C18H16N2O/c1-14-12-17(13-15-8-4-2-5-9-15)19-20(14)18(21)16-10-6-3-7-11-16/h2-12H,13H2,1H3
InChIKeyGRRZZJRDWXJPBU-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.47
Rot. Bonds3

About (3-benzyl-5-methylpyrazol-1-yl)-phenylmethanone

(3-benzyl-5-methylpyrazol-1-yl)-phenylmethanone (PubChem CID 102487882) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is (3-benzyl-5-methylpyrazol-1-yl)-phenylmethanone.

Molecular Properties

Compound Name(3-benzyl-5-methylpyrazol-1-yl)-phenylmethanone
PubChem CID102487882
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name(3-benzyl-5-methylpyrazol-1-yl)-phenylmethanone
SMILESCc1cc(Cc2ccccc2)nn1C(=O)c1ccccc1
InChIInChI=1S/C18H16N2O/c1-14-12-17(13-15-8-4-2-5-9-15)19-20(14)18(21)16-10-6-3-7-11-16/h2-12H,13H2,1H3
InChIKeyGRRZZJRDWXJPBU-UHFFFAOYSA-N
XLogP3.47
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzyl-1,5-dimethylpyrazole
CID 13225476
ethyl 3-benzyl-5-methyl-1,2,4-triazole-1-carboxylate
CID 172994166
2-benzylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 156508030
2-benzyl-6-methylpyrimidine-4-carboxylic acid
CID 62746068
6-(3-benzyl-5-methylpyrazol-1-yl)-7-chloro-2,3,4,5-tetrahydro-1H-3-benzazepine;butanedioic acid
CID 67319924
2-(5-amino-3-benzylpyrazol-1-yl)ethanol
CID 82078985
(5-amino-3-tert-butylpyrazol-1-yl)-phenylmethanone
CID 110471175
4-benzyl-3,5-dimethylpyrazole-1-carboxylic acid;hydrochloride
CID 70610186
(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-(4-ethoxyphenyl)methanone
CID 74233678
3-benzoyl-5-propan-2-yl-1,3,4-oxadiazol-2-one
CID 15507410
3-amino-N-(3-benzyl-1-methylpyrazol-5-yl)-2-hydroxy-3-methylbutanamide
CID 167787252
1-phenylethanone;phenylmethanamine
CID 174700909

Frequently Asked Questions

What is the IUPAC name of (3-benzyl-5-methylpyrazol-1-yl)-phenylmethanone?
The IUPAC name of (3-benzyl-5-methylpyrazol-1-yl)-phenylmethanone (CID 102487882) is (3-benzyl-5-methylpyrazol-1-yl)-phenylmethanone.
What is the SMILES notation for (3-benzyl-5-methylpyrazol-1-yl)-phenylmethanone?
The canonical SMILES for (3-benzyl-5-methylpyrazol-1-yl)-phenylmethanone is Cc1cc(Cc2ccccc2)nn1C(=O)c1ccccc1.
What is the InChIKey of (3-benzyl-5-methylpyrazol-1-yl)-phenylmethanone?
The InChIKey is GRRZZJRDWXJPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c1-14-12-17(13-15-8-4-2-5-9-15)19-20(14)18(21)16-10-6-3-7-11-16/h2-12H,13H2,1H3.
What are the key properties of (3-benzyl-5-methylpyrazol-1-yl)-phenylmethanone?
(3-benzyl-5-methylpyrazol-1-yl)-phenylmethanone has a molecular weight of 276.34 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-benzyl-5-methylpyrazol-1-yl)-phenylmethanone is sourced from PubChem (CID 102487882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).