5-(4-methoxyphenyl)-3-methyl-1-phenylpyrazole-4-carbaldehyde

C18H16N2O2 — CID 156773816

IUPAC5-(4-methoxyphenyl)-3-methyl-1-phenylpyrazole-4-carbaldehyde
SMILESCOc1ccc(-c2c(C=O)c(C)nn2-c2ccccc2)cc1
InChIInChI=1S/C18H16N2O2/c1-13-17(12-21)18(14-8-10-16(22-2)11-9-14)20(19-13)15-6-4-3-5-7-15/h3-12H,1-2H3
InChIKeyKNISSCINOWRKQB-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.67
Rot. Bonds4

About 5-(4-methoxyphenyl)-3-methyl-1-phenylpyrazole-4-carbaldehyde

5-(4-methoxyphenyl)-3-methyl-1-phenylpyrazole-4-carbaldehyde (PubChem CID 156773816) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-3-methyl-1-phenylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-3-methyl-1-phenylpyrazole-4-carbaldehyde
PubChem CID156773816
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name5-(4-methoxyphenyl)-3-methyl-1-phenylpyrazole-4-carbaldehyde
SMILESCOc1ccc(-c2c(C=O)c(C)nn2-c2ccccc2)cc1
InChIInChI=1S/C18H16N2O2/c1-13-17(12-21)18(14-8-10-16(22-2)11-9-14)20(19-13)15-6-4-3-5-7-15/h3-12H,1-2H3
InChIKeyKNISSCINOWRKQB-UHFFFAOYSA-N
XLogP3.67
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-methoxybenzaldehyde;toluene
CID 174462701
4-ethyl-3,5-bis(4-methoxyphenyl)-1-phenylpyrazole
CID 19586817
1-(4-methoxyphenyl)-3,5-bis(4-methylphenyl)-4-phenylpyrazole
CID 56589754
(E)-1-(4-methoxyphenyl)-3-[5-(2-methoxyphenyl)-3-methyl-1-phenylpyrazol-4-yl]prop-2-en-1-one
CID 156773818
1,5-bis(4-methoxyphenyl)triazole-4-carbaldehyde
CID 94937024
3-(4-methoxyphenyl)-2-phenyl-6,7-dihydro-5H-indazol-4-one
CID 3541773
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-methoxybenzenesulfonamide
CID 51284216
(E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(4-methoxyphenyl)prop-2-enamide
CID 26086243
benzaldehyde;1-methoxy-4-methylbenzene
CID 142165597
3-methyl-1-phenyl-5-phenylsulfanylpyrazole-4-carbaldehyde
CID 20983399
(4-methoxyphenyl)-(1,3,5-triphenylpyrazol-4-yl)methanone
CID 10884492
N-[(Z)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-4-methoxybenzamide
CID 6200239

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-3-methyl-1-phenylpyrazole-4-carbaldehyde?
The IUPAC name of 5-(4-methoxyphenyl)-3-methyl-1-phenylpyrazole-4-carbaldehyde (CID 156773816) is 5-(4-methoxyphenyl)-3-methyl-1-phenylpyrazole-4-carbaldehyde.
What is the SMILES notation for 5-(4-methoxyphenyl)-3-methyl-1-phenylpyrazole-4-carbaldehyde?
The canonical SMILES for 5-(4-methoxyphenyl)-3-methyl-1-phenylpyrazole-4-carbaldehyde is COc1ccc(-c2c(C=O)c(C)nn2-c2ccccc2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-3-methyl-1-phenylpyrazole-4-carbaldehyde?
The InChIKey is KNISSCINOWRKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-13-17(12-21)18(14-8-10-16(22-2)11-9-14)20(19-13)15-6-4-3-5-7-15/h3-12H,1-2H3.
What are the key properties of 5-(4-methoxyphenyl)-3-methyl-1-phenylpyrazole-4-carbaldehyde?
5-(4-methoxyphenyl)-3-methyl-1-phenylpyrazole-4-carbaldehyde has a molecular weight of 292.34 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-3-methyl-1-phenylpyrazole-4-carbaldehyde is sourced from PubChem (CID 156773816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).