3-(4-methoxyphenyl)-1-pyridin-4-ylpyrazole-4-carbaldehyde

C16H13N3O2 — CID 43543075

IUPAC3-(4-methoxyphenyl)-1-pyridin-4-ylpyrazole-4-carbaldehyde
SMILESCOc1ccc(-c2nn(-c3ccncc3)cc2C=O)cc1
InChIInChI=1S/C16H13N3O2/c1-21-15-4-2-12(3-5-15)16-13(11-20)10-19(18-16)14-6-8-17-9-7-14/h2-11H,1H3
InChIKeyVPBFUXKZFYVQKS-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.76
Rot. Bonds4

About 3-(4-methoxyphenyl)-1-pyridin-4-ylpyrazole-4-carbaldehyde

3-(4-methoxyphenyl)-1-pyridin-4-ylpyrazole-4-carbaldehyde (PubChem CID 43543075) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-pyridin-4-ylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-pyridin-4-ylpyrazole-4-carbaldehyde
PubChem CID43543075
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name3-(4-methoxyphenyl)-1-pyridin-4-ylpyrazole-4-carbaldehyde
SMILESCOc1ccc(-c2nn(-c3ccncc3)cc2C=O)cc1
InChIInChI=1S/C16H13N3O2/c1-21-15-4-2-12(3-5-15)16-13(11-20)10-19(18-16)14-6-8-17-9-7-14/h2-11H,1H3
InChIKeyVPBFUXKZFYVQKS-UHFFFAOYSA-N
XLogP2.76
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methoxyphenyl)-3-thiophen-2-ylpyrazole-4-carbaldehyde
CID 38997103
1-(4-chlorophenyl)-3-(4-ethoxyphenyl)pyrazole-4-carbaldehyde
CID 155010587
1-(4-methylphenyl)-3-phenylpyrazole-4-carbaldehyde
CID 3827316
3-(4-methoxyphenyl)-1-propylpyrazole-4-carbaldehyde
CID 61266299
1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazole-4-carbaldehyde
CID 1051907
N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-1,1-diphenylmethanimine
CID 2488828
3-(4-methylsulfonylphenyl)-1-[4-(trifluoromethoxy)phenyl]pyrazole-4-carbaldehyde
CID 166792040
1-phenyl-3-(4-propan-2-ylphenyl)pyrazole-4-carbaldehyde
CID 39095577
3-(4-methoxyphenyl)-1-(3-methylbutyl)pyrazole-4-carbaldehyde
CID 61414817
3-(4-acetylphenyl)-1-phenylpyrazole-4-carbaldehyde
CID 152594279
3-(3-methoxyphenyl)-1-pyrimidin-2-ylpyrazole-4-carbaldehyde
CID 43531826
diethyl 2-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]propanedioate
CID 2360920

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-pyridin-4-ylpyrazole-4-carbaldehyde?
The IUPAC name of 3-(4-methoxyphenyl)-1-pyridin-4-ylpyrazole-4-carbaldehyde (CID 43543075) is 3-(4-methoxyphenyl)-1-pyridin-4-ylpyrazole-4-carbaldehyde.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-pyridin-4-ylpyrazole-4-carbaldehyde?
The canonical SMILES for 3-(4-methoxyphenyl)-1-pyridin-4-ylpyrazole-4-carbaldehyde is COc1ccc(-c2nn(-c3ccncc3)cc2C=O)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-pyridin-4-ylpyrazole-4-carbaldehyde?
The InChIKey is VPBFUXKZFYVQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c1-21-15-4-2-12(3-5-15)16-13(11-20)10-19(18-16)14-6-8-17-9-7-14/h2-11H,1H3.
What are the key properties of 3-(4-methoxyphenyl)-1-pyridin-4-ylpyrazole-4-carbaldehyde?
3-(4-methoxyphenyl)-1-pyridin-4-ylpyrazole-4-carbaldehyde has a molecular weight of 279.30 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1-pyridin-4-ylpyrazole-4-carbaldehyde is sourced from PubChem (CID 43543075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).