4-methyl-1-pentylpyrazole-5-carbaldehyde

C10H16N2O — CID 139675101

IUPAC4-methyl-1-pentylpyrazole-5-carbaldehyde
SMILESCCCCCn1ncc(C)c1C=O
InChIInChI=1S/C10H16N2O/c1-3-4-5-6-12-10(8-13)9(2)7-11-12/h7-8H,3-6H2,1-2H3
InChIKeyHOZLFPXKXVZOGK-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.19
Rot. Bonds5

About 4-methyl-1-pentylpyrazole-5-carbaldehyde

4-methyl-1-pentylpyrazole-5-carbaldehyde (PubChem CID 139675101) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 4-methyl-1-pentylpyrazole-5-carbaldehyde.

Molecular Properties

Compound Name4-methyl-1-pentylpyrazole-5-carbaldehyde
PubChem CID139675101
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name4-methyl-1-pentylpyrazole-5-carbaldehyde
SMILESCCCCCn1ncc(C)c1C=O
InChIInChI=1S/C10H16N2O/c1-3-4-5-6-12-10(8-13)9(2)7-11-12/h7-8H,3-6H2,1-2H3
InChIKeyHOZLFPXKXVZOGK-UHFFFAOYSA-N
XLogP2.19
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-hexyl-5-methylpyrazole-4-carbaldehyde
CID 139674807
1-(ethoxymethyl)-4-methylpyrazole-5-carbaldehyde
CID 139675051
1-butyl-4-nitropyrazole-5-carbaldehyde
CID 139674849
1-(3-chloroprop-2-enyl)-4-methylpyrazole-5-carbaldehyde
CID 139675384
2-hexyl-5-methylpyrazole-3-carbaldehyde
CID 139675232
2-heptyl-5-methylpyrazole-3-carbaldehyde
CID 139675296
4-chloro-5-hydroxy-2-pentylpyridazin-3-one
CID 54683702
4-bromo-1-ethylpyrazole-5-carbaldehyde
CID 7019417
6-methyl-4-oxo-1-pentyl-7H-pyrazolo[5,4-b]pyridine-5-carboxylic acid
CID 135782148
1-hexyl-5-(2-methylphenyl)triazole-4-carbaldehyde
CID 82205983
1-hexyl-5-[(E)-2-(4-methylphenyl)ethenyl]triazole-4-carbaldehyde
CID 82206074
1-heptyl-5-(trifluoromethyl)pyrazole-3-carbaldehyde
CID 139675123

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-pentylpyrazole-5-carbaldehyde?
The IUPAC name of 4-methyl-1-pentylpyrazole-5-carbaldehyde (CID 139675101) is 4-methyl-1-pentylpyrazole-5-carbaldehyde.
What is the SMILES notation for 4-methyl-1-pentylpyrazole-5-carbaldehyde?
The canonical SMILES for 4-methyl-1-pentylpyrazole-5-carbaldehyde is CCCCCn1ncc(C)c1C=O.
What is the InChIKey of 4-methyl-1-pentylpyrazole-5-carbaldehyde?
The InChIKey is HOZLFPXKXVZOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-3-4-5-6-12-10(8-13)9(2)7-11-12/h7-8H,3-6H2,1-2H3.
What are the key properties of 4-methyl-1-pentylpyrazole-5-carbaldehyde?
4-methyl-1-pentylpyrazole-5-carbaldehyde has a molecular weight of 180.25 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-pentylpyrazole-5-carbaldehyde is sourced from PubChem (CID 139675101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).