4-chloro-3-(difluoromethyl)-5-methyl-1H-pyrazole

C5H5ClF2N2 — CID 55278618

IUPAC4-chloro-3-(difluoromethyl)-5-methyl-1H-pyrazole
SMILESCc1[nH]nc(C(F)F)c1Cl
InChIInChI=1S/C5H5ClF2N2/c1-2-3(6)4(5(7)8)10-9-2/h5H,1H3,(H,9,10)
InChIKeyAHRDRGMIKVJWHC-UHFFFAOYSA-N
MW166.56 g/mol
LogP2.31
Rot. Bonds1

About 4-chloro-3-(difluoromethyl)-5-methyl-1H-pyrazole

4-chloro-3-(difluoromethyl)-5-methyl-1H-pyrazole (PubChem CID 55278618) has the molecular formula C5H5ClF2N2 and a molecular weight of 166.56 g/mol. Its IUPAC name is 4-chloro-3-(difluoromethyl)-5-methyl-1H-pyrazole.

Molecular Properties

Compound Name4-chloro-3-(difluoromethyl)-5-methyl-1H-pyrazole
PubChem CID55278618
Molecular FormulaC5H5ClF2N2
Molecular Weight166.56 g/mol
Exact Mass166.01
IUPAC Name4-chloro-3-(difluoromethyl)-5-methyl-1H-pyrazole
SMILESCc1[nH]nc(C(F)F)c1Cl
InChIInChI=1S/C5H5ClF2N2/c1-2-3(6)4(5(7)8)10-9-2/h5H,1H3,(H,9,10)
InChIKeyAHRDRGMIKVJWHC-UHFFFAOYSA-N
XLogP2.31
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.56
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(difluoromethyl)-5-methyl-1H-pyrazole?
The IUPAC name of 4-chloro-3-(difluoromethyl)-5-methyl-1H-pyrazole (CID 55278618) is 4-chloro-3-(difluoromethyl)-5-methyl-1H-pyrazole.
What is the SMILES notation for 4-chloro-3-(difluoromethyl)-5-methyl-1H-pyrazole?
The canonical SMILES for 4-chloro-3-(difluoromethyl)-5-methyl-1H-pyrazole is Cc1[nH]nc(C(F)F)c1Cl.
What is the InChIKey of 4-chloro-3-(difluoromethyl)-5-methyl-1H-pyrazole?
The InChIKey is AHRDRGMIKVJWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClF2N2/c1-2-3(6)4(5(7)8)10-9-2/h5H,1H3,(H,9,10).
What are the key properties of 4-chloro-3-(difluoromethyl)-5-methyl-1H-pyrazole?
4-chloro-3-(difluoromethyl)-5-methyl-1H-pyrazole has a molecular weight of 166.56 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(difluoromethyl)-5-methyl-1H-pyrazole is sourced from PubChem (CID 55278618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).