3-ethyl-5-methyl-1H-pyrazole-4-carbaldehyde

C7H10N2O — CID 121212718

IUPAC3-ethyl-5-methyl-1H-pyrazole-4-carbaldehyde
SMILESCCc1n[nH]c(C)c1C=O
InChIInChI=1S/C7H10N2O/c1-3-7-6(4-10)5(2)8-9-7/h4H,3H2,1-2H3,(H,8,9)
InChIKeyPYPBUQCRKSLKJN-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.09
Rot. Bonds2

About 3-ethyl-5-methyl-1H-pyrazole-4-carbaldehyde

3-ethyl-5-methyl-1H-pyrazole-4-carbaldehyde (PubChem CID 121212718) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 3-ethyl-5-methyl-1H-pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name3-ethyl-5-methyl-1H-pyrazole-4-carbaldehyde
PubChem CID121212718
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name3-ethyl-5-methyl-1H-pyrazole-4-carbaldehyde
SMILESCCc1n[nH]c(C)c1C=O
InChIInChI=1S/C7H10N2O/c1-3-7-6(4-10)5(2)8-9-7/h4H,3H2,1-2H3,(H,8,9)
InChIKeyPYPBUQCRKSLKJN-UHFFFAOYSA-N
XLogP1.09
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-3-(2-phenylethyl)-1H-pyrazole-4-carbaldehyde
CID 82078425
3-ethyl-4-iodo-5-methyl-1H-pyrazole
CID 163869951
3-[(3-fluoro-4-methoxyphenyl)methyl]-5-methyl-1H-pyrazole-4-carbaldehyde
CID 82086758
1-(3-ethyl-5-methyl-1H-pyrazol-4-yl)-N-methylmethanamine
CID 54851004
3-(3-ethyl-5-methyl-1H-pyrazol-4-yl)propanamide
CID 121212756
3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazole-4-carbaldehyde
CID 82113593
3-(5-chlorothiophen-2-yl)-5-methyl-1H-pyrazole-4-carbaldehyde
CID 82115185
3,4-diethyl-6-oxo-1H-pyridazine-5-carbothioamide
CID 71756130
3-(ethylaminomethyl)-5-methyl-N-(1-methylsulfanylpropan-2-yl)-1H-pyrazole-4-sulfonamide
CID 106079848
3-ethyl-4,5-di(ethylidene)-1H-pyrazole
CID 123653327
4-ethyl-5-methyl-1H-pyrrole-2-carbaldehyde
CID 83668756
4-ethyl-5-propan-2-yl-1,3-thiazole-2-carbaldehyde
CID 105440773

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methyl-1H-pyrazole-4-carbaldehyde?
The IUPAC name of 3-ethyl-5-methyl-1H-pyrazole-4-carbaldehyde (CID 121212718) is 3-ethyl-5-methyl-1H-pyrazole-4-carbaldehyde.
What is the SMILES notation for 3-ethyl-5-methyl-1H-pyrazole-4-carbaldehyde?
The canonical SMILES for 3-ethyl-5-methyl-1H-pyrazole-4-carbaldehyde is CCc1n[nH]c(C)c1C=O.
What is the InChIKey of 3-ethyl-5-methyl-1H-pyrazole-4-carbaldehyde?
The InChIKey is PYPBUQCRKSLKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-3-7-6(4-10)5(2)8-9-7/h4H,3H2,1-2H3,(H,8,9).
What are the key properties of 3-ethyl-5-methyl-1H-pyrazole-4-carbaldehyde?
3-ethyl-5-methyl-1H-pyrazole-4-carbaldehyde has a molecular weight of 138.17 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methyl-1H-pyrazole-4-carbaldehyde is sourced from PubChem (CID 121212718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).