1-(2-methylphenyl)-3-pyridin-3-ylpyrazole-4-carbaldehyde

C16H13N3O — CID 43324141

IUPAC1-(2-methylphenyl)-3-pyridin-3-ylpyrazole-4-carbaldehyde
SMILESCc1ccccc1-n1cc(C=O)c(-c2cccnc2)n1
InChIInChI=1S/C16H13N3O/c1-12-5-2-3-7-15(12)19-10-14(11-20)16(18-19)13-6-4-8-17-9-13/h2-11H,1H3
InChIKeyPTWGHZHMXUFCSL-UHFFFAOYSA-N
MW263.30 g/mol
LogP3.06
Rot. Bonds3

About 1-(2-methylphenyl)-3-pyridin-3-ylpyrazole-4-carbaldehyde

1-(2-methylphenyl)-3-pyridin-3-ylpyrazole-4-carbaldehyde (PubChem CID 43324141) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is 1-(2-methylphenyl)-3-pyridin-3-ylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name1-(2-methylphenyl)-3-pyridin-3-ylpyrazole-4-carbaldehyde
PubChem CID43324141
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC Name1-(2-methylphenyl)-3-pyridin-3-ylpyrazole-4-carbaldehyde
SMILESCc1ccccc1-n1cc(C=O)c(-c2cccnc2)n1
InChIInChI=1S/C16H13N3O/c1-12-5-2-3-7-15(12)19-10-14(11-20)16(18-19)13-6-4-8-17-9-13/h2-11H,1H3
InChIKeyPTWGHZHMXUFCSL-UHFFFAOYSA-N
XLogP3.06
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.06
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

1-(2-methylphenyl)-3-pyridin-3-ylpyrazole-4-carboxylic acid
CID 43324353
1-(4-iodophenyl)-3-pyridin-3-ylpyrazole-4-carbaldehyde
CID 59177849
3-(3-chlorophenyl)-1-(2-methylphenyl)pyrazole-4-carbaldehyde
CID 43324136
1-(2,4-difluorophenyl)-3-pyridin-3-ylpyrazole-4-carbaldehyde
CID 3862147
1-(2-methylphenyl)-3-(2-methylpyrazol-3-yl)pyrazole-4-carbaldehyde
CID 106758363
1-(4-methylphenyl)-3-phenylpyrazole-4-carbaldehyde
CID 3827316
1-(2,5-dimethylphenyl)-3-pyridin-3-ylpyrazol-4-amine
CID 83216124
4-methyl-2,6-bis[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylidene]cyclohexan-1-one
CID 4201964
3-(3,5-dimethylphenyl)-1-pyridin-2-ylpyrazole-4-carbaldehyde
CID 63750754
(E)-N-tert-butyl-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enamide
CID 78777734
1-(4-phenylphenyl)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-en-1-one
CID 2876111
(E)-N'-methyl-N'-phenyl-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enehydrazide
CID 9479636

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-3-pyridin-3-ylpyrazole-4-carbaldehyde?
The IUPAC name of 1-(2-methylphenyl)-3-pyridin-3-ylpyrazole-4-carbaldehyde (CID 43324141) is 1-(2-methylphenyl)-3-pyridin-3-ylpyrazole-4-carbaldehyde.
What is the SMILES notation for 1-(2-methylphenyl)-3-pyridin-3-ylpyrazole-4-carbaldehyde?
The canonical SMILES for 1-(2-methylphenyl)-3-pyridin-3-ylpyrazole-4-carbaldehyde is Cc1ccccc1-n1cc(C=O)c(-c2cccnc2)n1.
What is the InChIKey of 1-(2-methylphenyl)-3-pyridin-3-ylpyrazole-4-carbaldehyde?
The InChIKey is PTWGHZHMXUFCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O/c1-12-5-2-3-7-15(12)19-10-14(11-20)16(18-19)13-6-4-8-17-9-13/h2-11H,1H3.
What are the key properties of 1-(2-methylphenyl)-3-pyridin-3-ylpyrazole-4-carbaldehyde?
1-(2-methylphenyl)-3-pyridin-3-ylpyrazole-4-carbaldehyde has a molecular weight of 263.30 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-3-pyridin-3-ylpyrazole-4-carbaldehyde is sourced from PubChem (CID 43324141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).