2-methoxy-5-(3-methyl-1-propylpyrazol-4-yl)benzaldehyde

C15H18N2O2 — CID 66020620

IUPAC2-methoxy-5-(3-methyl-1-propylpyrazol-4-yl)benzaldehyde
SMILESCCCn1cc(-c2ccc(OC)c(C=O)c2)c(C)n1
InChIInChI=1S/C15H18N2O2/c1-4-7-17-9-14(11(2)16-17)12-5-6-15(19-3)13(8-12)10-18/h5-6,8-10H,4,7H2,1-3H3
InChIKeySOOSVWQORGYNLQ-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.09
Rot. Bonds5

About 2-methoxy-5-(3-methyl-1-propylpyrazol-4-yl)benzaldehyde

2-methoxy-5-(3-methyl-1-propylpyrazol-4-yl)benzaldehyde (PubChem CID 66020620) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-methoxy-5-(3-methyl-1-propylpyrazol-4-yl)benzaldehyde.

Molecular Properties

Compound Name2-methoxy-5-(3-methyl-1-propylpyrazol-4-yl)benzaldehyde
PubChem CID66020620
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-methoxy-5-(3-methyl-1-propylpyrazol-4-yl)benzaldehyde
SMILESCCCn1cc(-c2ccc(OC)c(C=O)c2)c(C)n1
InChIInChI=1S/C15H18N2O2/c1-4-7-17-9-14(11(2)16-17)12-5-6-15(19-3)13(8-12)10-18/h5-6,8-10H,4,7H2,1-3H3
InChIKeySOOSVWQORGYNLQ-UHFFFAOYSA-N
XLogP3.09
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.09
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 2-methoxy-5-(3-methyl-1-propylpyrazol-4-yl)benzaldehyde?
The IUPAC name of 2-methoxy-5-(3-methyl-1-propylpyrazol-4-yl)benzaldehyde (CID 66020620) is 2-methoxy-5-(3-methyl-1-propylpyrazol-4-yl)benzaldehyde.
What is the SMILES notation for 2-methoxy-5-(3-methyl-1-propylpyrazol-4-yl)benzaldehyde?
The canonical SMILES for 2-methoxy-5-(3-methyl-1-propylpyrazol-4-yl)benzaldehyde is CCCn1cc(-c2ccc(OC)c(C=O)c2)c(C)n1.
What is the InChIKey of 2-methoxy-5-(3-methyl-1-propylpyrazol-4-yl)benzaldehyde?
The InChIKey is SOOSVWQORGYNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-4-7-17-9-14(11(2)16-17)12-5-6-15(19-3)13(8-12)10-18/h5-6,8-10H,4,7H2,1-3H3.
What are the key properties of 2-methoxy-5-(3-methyl-1-propylpyrazol-4-yl)benzaldehyde?
2-methoxy-5-(3-methyl-1-propylpyrazol-4-yl)benzaldehyde has a molecular weight of 258.32 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(3-methyl-1-propylpyrazol-4-yl)benzaldehyde is sourced from PubChem (CID 66020620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).