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

C4H3ClF2N2 — CID 154779867

IUPAC4-chloro-5-(difluoromethyl)-1H-pyrazole
SMILESFC(F)c1[nH]ncc1Cl
InChIInChI=1S/C4H3ClF2N2/c5-2-1-8-9-3(2)4(6)7/h1,4H,(H,8,9)
InChIKeyHATISBHUEZDBQA-UHFFFAOYSA-N
MW152.53 g/mol
LogP2.00
Rot. Bonds1

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

4-chloro-5-(difluoromethyl)-1H-pyrazole (PubChem CID 154779867) has the molecular formula C4H3ClF2N2 and a molecular weight of 152.53 g/mol. Its IUPAC name is 4-chloro-5-(difluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name4-chloro-5-(difluoromethyl)-1H-pyrazole
PubChem CID154779867
Molecular FormulaC4H3ClF2N2
Molecular Weight152.53 g/mol
Exact Mass152.00
IUPAC Name4-chloro-5-(difluoromethyl)-1H-pyrazole
SMILESFC(F)c1[nH]ncc1Cl
InChIInChI=1S/C4H3ClF2N2/c5-2-1-8-9-3(2)4(6)7/h1,4H,(H,8,9)
InChIKeyHATISBHUEZDBQA-UHFFFAOYSA-N
XLogP2.00
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.53
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-5-methyl-1H-pyrazole
CID 204169
3-(Trifluoromethyl)pyrazole
CID 1807034
4-chloro-3-(trifluoromethyl)-1H-pyrazole
CID 7147387
3-(chlorodifluoromethyl)-1H-pyrazole
CID 59403642
4-iodo-3-(trifluoromethyl)-1H-pyrazole
CID 16069792
4-fluoro-5-methyl-1H-pyrazole
CID 18413344
4-(chloromethyl)-5-(trifluoromethyl)-1H-pyrazole
CID 66436831
3-methyl-4-(trifluoromethyl)-1H-pyrazole
CID 59018939
4-Chloro-1H-pyrazole-5-carbonitrile
CID 46398217
3-(Difluoromethyl)-4-iodo-1H-pyrazole
CID 60136603
CID 89129345
CID 89129345
4-chloro-5-(2,2-difluoroethyl)-1H-pyrazole
CID 123269512

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(difluoromethyl)-1H-pyrazole?
The IUPAC name of 4-chloro-5-(difluoromethyl)-1H-pyrazole (CID 154779867) is 4-chloro-5-(difluoromethyl)-1H-pyrazole.
What is the SMILES notation for 4-chloro-5-(difluoromethyl)-1H-pyrazole?
The canonical SMILES for 4-chloro-5-(difluoromethyl)-1H-pyrazole is FC(F)c1[nH]ncc1Cl.
What is the InChIKey of 4-chloro-5-(difluoromethyl)-1H-pyrazole?
The InChIKey is HATISBHUEZDBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3ClF2N2/c5-2-1-8-9-3(2)4(6)7/h1,4H,(H,8,9).
What are the key properties of 4-chloro-5-(difluoromethyl)-1H-pyrazole?
4-chloro-5-(difluoromethyl)-1H-pyrazole has a molecular weight of 152.53 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(difluoromethyl)-1H-pyrazole is sourced from PubChem (CID 154779867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).