2-(4-methoxy-1-propylpyrazol-5-yl)acetaldehyde

C9H14N2O2 — CID 114662451

IUPAC2-(4-methoxy-1-propylpyrazol-5-yl)acetaldehyde
SMILESCCCn1ncc(OC)c1CC=O
InChIInChI=1S/C9H14N2O2/c1-3-5-11-8(4-6-12)9(13-2)7-10-11/h6-7H,3-5H2,1-2H3
InChIKeyBJAHPSSMYRYUPV-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.04
Rot. Bonds5

About 2-(4-methoxy-1-propylpyrazol-5-yl)acetaldehyde

2-(4-methoxy-1-propylpyrazol-5-yl)acetaldehyde (PubChem CID 114662451) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-(4-methoxy-1-propylpyrazol-5-yl)acetaldehyde.

Molecular Properties

Compound Name2-(4-methoxy-1-propylpyrazol-5-yl)acetaldehyde
PubChem CID114662451
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name2-(4-methoxy-1-propylpyrazol-5-yl)acetaldehyde
SMILESCCCn1ncc(OC)c1CC=O
InChIInChI=1S/C9H14N2O2/c1-3-5-11-8(4-6-12)9(13-2)7-10-11/h6-7H,3-5H2,1-2H3
InChIKeyBJAHPSSMYRYUPV-UHFFFAOYSA-N
XLogP1.04
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.04
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

N-[(4-methoxy-1-propylpyrazol-5-yl)methyl]-2-methylpropan-2-amine
CID 114652183
1-(4-methoxy-1-propylpyrazol-5-yl)-4,4-dimethylpentan-3-ol
CID 114665013
1-(4-methoxy-1-propylpyrazol-5-yl)-4-methylpentan-3-amine
CID 114663877
5-(3-bromo-4-methylpentyl)-4-methoxy-1-propylpyrazole
CID 114665454
(E)-4-(4-methoxy-1-propylpyrazol-5-yl)but-3-en-1-amine
CID 114666169
3-(4-methoxy-1-propylpyrazol-5-yl)-1-phenylpropan-1-amine
CID 114663919
2-ethoxy-1-(4-methoxy-1-propylpyrazol-5-yl)pentan-1-one
CID 114642520
1-(4-methoxy-1-propylpyrazol-5-yl)decan-1-one
CID 115810940
1-(4-methoxy-1-propylpyrazol-5-yl)pentan-1-ol
CID 114635614
1-(4-methoxy-1-propylpyrazol-5-yl)ethylhydrazine
CID 105201289
N-ethyl-4-(4-methoxy-1-propylpyrazol-5-yl)pent-3-en-1-amine
CID 104940638
3-amino-1-(4-methoxy-1-propylpyrazol-5-yl)-2-methylpropan-1-one
CID 114668938

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-1-propylpyrazol-5-yl)acetaldehyde?
The IUPAC name of 2-(4-methoxy-1-propylpyrazol-5-yl)acetaldehyde (CID 114662451) is 2-(4-methoxy-1-propylpyrazol-5-yl)acetaldehyde.
What is the SMILES notation for 2-(4-methoxy-1-propylpyrazol-5-yl)acetaldehyde?
The canonical SMILES for 2-(4-methoxy-1-propylpyrazol-5-yl)acetaldehyde is CCCn1ncc(OC)c1CC=O.
What is the InChIKey of 2-(4-methoxy-1-propylpyrazol-5-yl)acetaldehyde?
The InChIKey is BJAHPSSMYRYUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-3-5-11-8(4-6-12)9(13-2)7-10-11/h6-7H,3-5H2,1-2H3.
What are the key properties of 2-(4-methoxy-1-propylpyrazol-5-yl)acetaldehyde?
2-(4-methoxy-1-propylpyrazol-5-yl)acetaldehyde has a molecular weight of 182.22 g/mol, XLogP of 1.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-1-propylpyrazol-5-yl)acetaldehyde is sourced from PubChem (CID 114662451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).