4-methyl-1-propylpyrazole-3-carbaldehyde

C8H12N2O — CID 139675050

IUPAC4-methyl-1-propylpyrazole-3-carbaldehyde
SMILESCCCn1cc(C)c(C=O)n1
InChIInChI=1S/C8H12N2O/c1-3-4-10-5-7(2)8(6-11)9-10/h5-6H,3-4H2,1-2H3
InChIKeyRMNYEFVYNXHXGS-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.41
Rot. Bonds3

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

4-methyl-1-propylpyrazole-3-carbaldehyde (PubChem CID 139675050) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 4-methyl-1-propylpyrazole-3-carbaldehyde.

Molecular Properties

Compound Name4-methyl-1-propylpyrazole-3-carbaldehyde
PubChem CID139675050
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name4-methyl-1-propylpyrazole-3-carbaldehyde
SMILESCCCn1cc(C)c(C=O)n1
InChIInChI=1S/C8H12N2O/c1-3-4-10-5-7(2)8(6-11)9-10/h5-6H,3-4H2,1-2H3
InChIKeyRMNYEFVYNXHXGS-UHFFFAOYSA-N
XLogP1.41
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 ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-1-propylpyrazole-4-carbaldehyde
CID 139675382
2-[3-[(Z)-but-1-enyl]-4-methylpyrazol-1-yl]ethanol
CID 139502967
3-(4-methoxy-2,5-dimethylphenyl)-1-propylpyrazole-4-carbaldehyde
CID 104508683
ethane;4-methyl-1-propyl-3-(trifluoromethyl)pyrazole
CID 143746140
3-(1-tert-butyl-3-methylpyrazol-4-yl)-1-propylpyrazole-4-carbaldehyde
CID 61385463
3-(4-propan-2-ylphenyl)-1-propylpyrazole-4-carbaldehyde
CID 61266287
3-(4-methoxyphenyl)-1-propylpyrazole-4-carbaldehyde
CID 61266299
1-methyl-4-propylpyrazole-3-carbaldehyde
CID 105422580
3-naphthalen-1-yl-1-propylpyrazole-4-carbaldehyde
CID 61266472
3-(1,1-dioxothian-4-yl)-1-propylpyrazole-4-carbaldehyde
CID 114798191
2-methoxy-5-(3-methyl-1-propylpyrazol-4-yl)benzaldehyde
CID 66020620
3-(2,3-difluorophenyl)-1-propylpyrazole-4-carbaldehyde
CID 112568791

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-propylpyrazole-3-carbaldehyde?
The IUPAC name of 4-methyl-1-propylpyrazole-3-carbaldehyde (CID 139675050) is 4-methyl-1-propylpyrazole-3-carbaldehyde.
What is the SMILES notation for 4-methyl-1-propylpyrazole-3-carbaldehyde?
The canonical SMILES for 4-methyl-1-propylpyrazole-3-carbaldehyde is CCCn1cc(C)c(C=O)n1.
What is the InChIKey of 4-methyl-1-propylpyrazole-3-carbaldehyde?
The InChIKey is RMNYEFVYNXHXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-3-4-10-5-7(2)8(6-11)9-10/h5-6H,3-4H2,1-2H3.
What are the key properties of 4-methyl-1-propylpyrazole-3-carbaldehyde?
4-methyl-1-propylpyrazole-3-carbaldehyde has a molecular weight of 152.20 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-propylpyrazole-3-carbaldehyde is sourced from PubChem (CID 139675050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).