1-methyl-4-propylpyrazole-3-carbaldehyde

C8H12N2O — CID 105422580

IUPAC1-methyl-4-propylpyrazole-3-carbaldehyde
SMILESCCCc1cn(C)nc1C=O
InChIInChI=1S/C8H12N2O/c1-3-4-7-5-10(2)9-8(7)6-11/h5-6H,3-4H2,1-2H3
InChIKeyYUGLZCMHZDDOJC-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.19
Rot. Bonds3

About 1-methyl-4-propylpyrazole-3-carbaldehyde

1-methyl-4-propylpyrazole-3-carbaldehyde (PubChem CID 105422580) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 1-methyl-4-propylpyrazole-3-carbaldehyde.

Molecular Properties

Compound Name1-methyl-4-propylpyrazole-3-carbaldehyde
PubChem CID105422580
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name1-methyl-4-propylpyrazole-3-carbaldehyde
SMILESCCCc1cn(C)nc1C=O
InChIInChI=1S/C8H12N2O/c1-3-4-7-5-10(2)9-8(7)6-11/h5-6H,3-4H2,1-2H3
InChIKeyYUGLZCMHZDDOJC-UHFFFAOYSA-N
XLogP1.19
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-methyl-4-propylpyrazole-3-carbaldehyde?
The IUPAC name of 1-methyl-4-propylpyrazole-3-carbaldehyde (CID 105422580) is 1-methyl-4-propylpyrazole-3-carbaldehyde.
What is the SMILES notation for 1-methyl-4-propylpyrazole-3-carbaldehyde?
The canonical SMILES for 1-methyl-4-propylpyrazole-3-carbaldehyde is CCCc1cn(C)nc1C=O.
What is the InChIKey of 1-methyl-4-propylpyrazole-3-carbaldehyde?
The InChIKey is YUGLZCMHZDDOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-3-4-7-5-10(2)9-8(7)6-11/h5-6H,3-4H2,1-2H3.
What are the key properties of 1-methyl-4-propylpyrazole-3-carbaldehyde?
1-methyl-4-propylpyrazole-3-carbaldehyde has a molecular weight of 152.20 g/mol, XLogP of 1.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-propylpyrazole-3-carbaldehyde is sourced from PubChem (CID 105422580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).