4-methyl-1-propan-2-ylpyrazole-5-carbaldehyde

C8H12N2O — CID 139675289

IUPAC4-methyl-1-propan-2-ylpyrazole-5-carbaldehyde
SMILESCc1cnn(C(C)C)c1C=O
InChIInChI=1S/C8H12N2O/c1-6(2)10-8(5-11)7(3)4-9-10/h4-6H,1-3H3
InChIKeyIZEBALJHNOAJRU-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.58
Rot. Bonds2

About 4-methyl-1-propan-2-ylpyrazole-5-carbaldehyde

4-methyl-1-propan-2-ylpyrazole-5-carbaldehyde (PubChem CID 139675289) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 4-methyl-1-propan-2-ylpyrazole-5-carbaldehyde.

Molecular Properties

Compound Name4-methyl-1-propan-2-ylpyrazole-5-carbaldehyde
PubChem CID139675289
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name4-methyl-1-propan-2-ylpyrazole-5-carbaldehyde
SMILESCc1cnn(C(C)C)c1C=O
InChIInChI=1S/C8H12N2O/c1-6(2)10-8(5-11)7(3)4-9-10/h4-6H,1-3H3
InChIKeyIZEBALJHNOAJRU-UHFFFAOYSA-N
XLogP1.58
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.58
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

1-propan-2-yl-4-(trifluoromethyl)pyrazole-5-carbaldehyde
CID 84734100
5-chloro-1-propan-2-ylpyrazole-4-carbaldehyde
CID 84717472
1,5-di(propan-2-yl)pyrazole-4-carbaldehyde
CID 21097231
trifluoro-(4-methyl-1-propan-2-ylpyrazol-5-yl)boranuide
CID 166000245
ethane;5-methoxy-4-methyl-1-propan-2-ylpyrazole
CID 144607378
1-(3,5-dichlorophenyl)-4-methylpyrazole-5-carbaldehyde
CID 139674921
1-(3-chloroprop-2-enyl)-4-methylpyrazole-5-carbaldehyde
CID 139675384
2-(4-methyl-1-propan-2-ylpyrazol-5-yl)propan-2-ol
CID 115016266
1-(ethoxymethyl)-4-methylpyrazole-5-carbaldehyde
CID 139675051
5-(methylamino)-1-propan-2-ylpyrazole-4-carbaldehyde;molecular hydrogen
CID 142866678
4-methyl-1-pentylpyrazole-5-carbaldehyde
CID 139675101
1-(1-fluoroethyl)-4,5-dimethylpyrazole
CID 167589330

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-propan-2-ylpyrazole-5-carbaldehyde?
The IUPAC name of 4-methyl-1-propan-2-ylpyrazole-5-carbaldehyde (CID 139675289) is 4-methyl-1-propan-2-ylpyrazole-5-carbaldehyde.
What is the SMILES notation for 4-methyl-1-propan-2-ylpyrazole-5-carbaldehyde?
The canonical SMILES for 4-methyl-1-propan-2-ylpyrazole-5-carbaldehyde is Cc1cnn(C(C)C)c1C=O.
What is the InChIKey of 4-methyl-1-propan-2-ylpyrazole-5-carbaldehyde?
The InChIKey is IZEBALJHNOAJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-6(2)10-8(5-11)7(3)4-9-10/h4-6H,1-3H3.
What are the key properties of 4-methyl-1-propan-2-ylpyrazole-5-carbaldehyde?
4-methyl-1-propan-2-ylpyrazole-5-carbaldehyde has a molecular weight of 152.20 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-propan-2-ylpyrazole-5-carbaldehyde is sourced from PubChem (CID 139675289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).