1-phenyl-3-(4-propan-2-yloxyphenyl)pyrazole-4-carbaldehyde

C19H18N2O2 — CID 2119468

IUPAC1-phenyl-3-(4-propan-2-yloxyphenyl)pyrazole-4-carbaldehyde
SMILESCC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2C=O)cc1
InChIInChI=1S/C19H18N2O2/c1-14(2)23-18-10-8-15(9-11-18)19-16(13-22)12-21(20-19)17-6-4-3-5-7-17/h3-14H,1-2H3
InChIKeyOCZGCMFPLUPIRT-UHFFFAOYSA-N
MW306.37 g/mol
LogP4.14
Rot. Bonds5

About 1-phenyl-3-(4-propan-2-yloxyphenyl)pyrazole-4-carbaldehyde

1-phenyl-3-(4-propan-2-yloxyphenyl)pyrazole-4-carbaldehyde (PubChem CID 2119468) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 1-phenyl-3-(4-propan-2-yloxyphenyl)pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name1-phenyl-3-(4-propan-2-yloxyphenyl)pyrazole-4-carbaldehyde
PubChem CID2119468
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name1-phenyl-3-(4-propan-2-yloxyphenyl)pyrazole-4-carbaldehyde
SMILESCC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2C=O)cc1
InChIInChI=1S/C19H18N2O2/c1-14(2)23-18-10-8-15(9-11-18)19-16(13-22)12-21(20-19)17-6-4-3-5-7-17/h3-14H,1-2H3
InChIKeyOCZGCMFPLUPIRT-UHFFFAOYSA-N
XLogP4.14
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(4-propan-2-yloxyphenyl)pyrazole-4-carbaldehyde?
The IUPAC name of 1-phenyl-3-(4-propan-2-yloxyphenyl)pyrazole-4-carbaldehyde (CID 2119468) is 1-phenyl-3-(4-propan-2-yloxyphenyl)pyrazole-4-carbaldehyde.
What is the SMILES notation for 1-phenyl-3-(4-propan-2-yloxyphenyl)pyrazole-4-carbaldehyde?
The canonical SMILES for 1-phenyl-3-(4-propan-2-yloxyphenyl)pyrazole-4-carbaldehyde is CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2C=O)cc1.
What is the InChIKey of 1-phenyl-3-(4-propan-2-yloxyphenyl)pyrazole-4-carbaldehyde?
The InChIKey is OCZGCMFPLUPIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-14(2)23-18-10-8-15(9-11-18)19-16(13-22)12-21(20-19)17-6-4-3-5-7-17/h3-14H,1-2H3.
What are the key properties of 1-phenyl-3-(4-propan-2-yloxyphenyl)pyrazole-4-carbaldehyde?
1-phenyl-3-(4-propan-2-yloxyphenyl)pyrazole-4-carbaldehyde has a molecular weight of 306.37 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(4-propan-2-yloxyphenyl)pyrazole-4-carbaldehyde is sourced from PubChem (CID 2119468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).