3-(3-methoxyphenyl)-1-pyrimidin-2-ylpyrazole-4-carbaldehyde

C15H12N4O2 — CID 43531826

IUPAC3-(3-methoxyphenyl)-1-pyrimidin-2-ylpyrazole-4-carbaldehyde
SMILESCOc1cccc(-c2nn(-c3ncccn3)cc2C=O)c1
InChIInChI=1S/C15H12N4O2/c1-21-13-5-2-4-11(8-13)14-12(10-20)9-19(18-14)15-16-6-3-7-17-15/h2-10H,1H3
InChIKeyCNXASWHTTCAEDL-UHFFFAOYSA-N
MW280.29 g/mol
LogP2.15
Rot. Bonds4

About 3-(3-methoxyphenyl)-1-pyrimidin-2-ylpyrazole-4-carbaldehyde

3-(3-methoxyphenyl)-1-pyrimidin-2-ylpyrazole-4-carbaldehyde (PubChem CID 43531826) has the molecular formula C15H12N4O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-1-pyrimidin-2-ylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-1-pyrimidin-2-ylpyrazole-4-carbaldehyde
PubChem CID43531826
Molecular FormulaC15H12N4O2
Molecular Weight280.29 g/mol
Exact Mass280.10
IUPAC Name3-(3-methoxyphenyl)-1-pyrimidin-2-ylpyrazole-4-carbaldehyde
SMILESCOc1cccc(-c2nn(-c3ncccn3)cc2C=O)c1
InChIInChI=1S/C15H12N4O2/c1-21-13-5-2-4-11(8-13)14-12(10-20)9-19(18-14)15-16-6-3-7-17-15/h2-10H,1H3
InChIKeyCNXASWHTTCAEDL-UHFFFAOYSA-N
XLogP2.15
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-1-(3-methoxyphenyl)pyrazole-4-carbaldehyde
CID 165473214
2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde
CID 82271855
N-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]hydroxylamine
CID 2423837
3-(3-methoxyphenyl)-1,2-oxazole-4-carbaldehyde
CID 82362919
3-(2,3-difluorophenyl)-1-pyrimidin-2-ylpyrazole-4-carbaldehyde
CID 115925296
3-(4-methoxyphenyl)-1-pyridin-4-ylpyrazole-4-carbaldehyde
CID 43543075
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
3-(2-iodophenyl)-1-pyrimidin-2-ylpyrazole-4-carbaldehyde
CID 63163055
3-(2,4-dichlorophenyl)-1-pyrimidin-2-ylpyrazole-4-carbaldehyde
CID 43531822
3-(3-methylthiophen-2-yl)-1-pyrimidin-2-ylpyrazole-4-carbaldehyde
CID 63991039
1,3-bis(3-bromophenyl)pyrazole-4-carbaldehyde
CID 43542676
5-(3-methoxyphenyl)-1-methylpyrazole-4-carbaldehyde
CID 83821629

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-1-pyrimidin-2-ylpyrazole-4-carbaldehyde?
The IUPAC name of 3-(3-methoxyphenyl)-1-pyrimidin-2-ylpyrazole-4-carbaldehyde (CID 43531826) is 3-(3-methoxyphenyl)-1-pyrimidin-2-ylpyrazole-4-carbaldehyde.
What is the SMILES notation for 3-(3-methoxyphenyl)-1-pyrimidin-2-ylpyrazole-4-carbaldehyde?
The canonical SMILES for 3-(3-methoxyphenyl)-1-pyrimidin-2-ylpyrazole-4-carbaldehyde is COc1cccc(-c2nn(-c3ncccn3)cc2C=O)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-1-pyrimidin-2-ylpyrazole-4-carbaldehyde?
The InChIKey is CNXASWHTTCAEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2/c1-21-13-5-2-4-11(8-13)14-12(10-20)9-19(18-14)15-16-6-3-7-17-15/h2-10H,1H3.
What are the key properties of 3-(3-methoxyphenyl)-1-pyrimidin-2-ylpyrazole-4-carbaldehyde?
3-(3-methoxyphenyl)-1-pyrimidin-2-ylpyrazole-4-carbaldehyde has a molecular weight of 280.29 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-1-pyrimidin-2-ylpyrazole-4-carbaldehyde is sourced from PubChem (CID 43531826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).