5-(difluoromethyl)-1H-pyrazole-4-carbaldehyde

C5H4F2N2O — CID 130274307

IUPAC5-(difluoromethyl)-1H-pyrazole-4-carbaldehyde
SMILESO=Cc1cn[nH]c1C(F)F
InChIInChI=1S/C5H4F2N2O/c6-5(7)4-3(2-10)1-8-9-4/h1-2,5H,(H,8,9)
InChIKeyYOPDPXKMBYESFW-UHFFFAOYSA-N
MW146.10 g/mol
LogP1.16
Rot. Bonds2

About 5-(difluoromethyl)-1H-pyrazole-4-carbaldehyde

5-(difluoromethyl)-1H-pyrazole-4-carbaldehyde (PubChem CID 130274307) has the molecular formula C5H4F2N2O and a molecular weight of 146.10 g/mol. Its IUPAC name is 5-(difluoromethyl)-1H-pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name5-(difluoromethyl)-1H-pyrazole-4-carbaldehyde
PubChem CID130274307
Molecular FormulaC5H4F2N2O
Molecular Weight146.10 g/mol
Exact Mass146.03
IUPAC Name5-(difluoromethyl)-1H-pyrazole-4-carbaldehyde
SMILESO=Cc1cn[nH]c1C(F)F
InChIInChI=1S/C5H4F2N2O/c6-5(7)4-3(2-10)1-8-9-4/h1-2,5H,(H,8,9)
InChIKeyYOPDPXKMBYESFW-UHFFFAOYSA-N
XLogP1.16
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.10
LogP ≤ 51.16
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

3-methyl-1H-pyrazole-4-carbaldehyde
CID 2760056
3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde
CID 28875391
4-methyl-1H-pyrazole-5-carbaldehyde
CID 15906386
3-Ethyl-1H-pyrazole-4-carbaldehyde
CID 2758901
1H,4H,5H-pyrazolo(3,4-d)pyridazin-4-one
CID 12240775
3-methyl-1H-pyrazole-4-carbohydrazide
CID 50987772
5-(Trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 66781137
1-(3-(Trifluoromethyl)-1H-pyrazol-4-yl)ethanone
CID 82653905
4-methyl-1H-pyrazole-3-carbaldehyde hydrochloride
CID 91662857
5-(difluoromethyl)-1H-pyrazole-4-carboxamide
CID 54533637
5-(difluoromethyl)-N-methyl-1H-pyrazole-4-carboxamide
CID 68918114
5-(fluoromethyl)-1H-pyrazole-4-carbaldehyde
CID 89008781

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-1H-pyrazole-4-carbaldehyde?
The IUPAC name of 5-(difluoromethyl)-1H-pyrazole-4-carbaldehyde (CID 130274307) is 5-(difluoromethyl)-1H-pyrazole-4-carbaldehyde.
What is the SMILES notation for 5-(difluoromethyl)-1H-pyrazole-4-carbaldehyde?
The canonical SMILES for 5-(difluoromethyl)-1H-pyrazole-4-carbaldehyde is O=Cc1cn[nH]c1C(F)F.
What is the InChIKey of 5-(difluoromethyl)-1H-pyrazole-4-carbaldehyde?
The InChIKey is YOPDPXKMBYESFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F2N2O/c6-5(7)4-3(2-10)1-8-9-4/h1-2,5H,(H,8,9).
What are the key properties of 5-(difluoromethyl)-1H-pyrazole-4-carbaldehyde?
5-(difluoromethyl)-1H-pyrazole-4-carbaldehyde has a molecular weight of 146.10 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-1H-pyrazole-4-carbaldehyde is sourced from PubChem (CID 130274307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).