2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetaldehyde

C8H10F2N2O — CID 155103499

IUPAC2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetaldehyde
SMILESCc1nn(C(F)F)c(C)c1CC=O
InChIInChI=1S/C8H10F2N2O/c1-5-7(3-4-13)6(2)12(11-5)8(9)10/h4,8H,3H2,1-2H3
InChIKeyRPSIEHCOOOXUDJ-UHFFFAOYSA-N
MW188.18 g/mol
LogP1.64
Rot. Bonds3

About 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetaldehyde

2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetaldehyde (PubChem CID 155103499) has the molecular formula C8H10F2N2O and a molecular weight of 188.18 g/mol. Its IUPAC name is 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetaldehyde.

Molecular Properties

Compound Name2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetaldehyde
PubChem CID155103499
Molecular FormulaC8H10F2N2O
Molecular Weight188.18 g/mol
Exact Mass188.08
IUPAC Name2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetaldehyde
SMILESCc1nn(C(F)F)c(C)c1CC=O
InChIInChI=1S/C8H10F2N2O/c1-5-7(3-4-13)6(2)12(11-5)8(9)10/h4,8H,3H2,1-2H3
InChIKeyRPSIEHCOOOXUDJ-UHFFFAOYSA-N
XLogP1.64
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 51.64
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 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetaldehyde?
The IUPAC name of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetaldehyde (CID 155103499) is 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetaldehyde.
What is the SMILES notation for 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetaldehyde?
The canonical SMILES for 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetaldehyde is Cc1nn(C(F)F)c(C)c1CC=O.
What is the InChIKey of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetaldehyde?
The InChIKey is RPSIEHCOOOXUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2O/c1-5-7(3-4-13)6(2)12(11-5)8(9)10/h4,8H,3H2,1-2H3.
What are the key properties of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetaldehyde?
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetaldehyde has a molecular weight of 188.18 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetaldehyde is sourced from PubChem (CID 155103499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).