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

C5H5ClF2N2 — CID 155301301

IUPAC3-chloro-5-(difluoromethyl)-4-methyl-1H-pyrazole
SMILESCc1c(Cl)n[nH]c1C(F)F
InChIInChI=1S/C5H5ClF2N2/c1-2-3(5(7)8)9-10-4(2)6/h5H,1H3,(H,9,10)
InChIKeyUABGIGSZXGQVBC-UHFFFAOYSA-N
MW166.56 g/mol
LogP2.31
Rot. Bonds1

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

3-chloro-5-(difluoromethyl)-4-methyl-1H-pyrazole (PubChem CID 155301301) has the molecular formula C5H5ClF2N2 and a molecular weight of 166.56 g/mol. Its IUPAC name is 3-chloro-5-(difluoromethyl)-4-methyl-1H-pyrazole.

Molecular Properties

Compound Name3-chloro-5-(difluoromethyl)-4-methyl-1H-pyrazole
PubChem CID155301301
Molecular FormulaC5H5ClF2N2
Molecular Weight166.56 g/mol
Exact Mass166.01
IUPAC Name3-chloro-5-(difluoromethyl)-4-methyl-1H-pyrazole
SMILESCc1c(Cl)n[nH]c1C(F)F
InChIInChI=1S/C5H5ClF2N2/c1-2-3(5(7)8)9-10-4(2)6/h5H,1H3,(H,9,10)
InChIKeyUABGIGSZXGQVBC-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 3-chloro-5-(difluoromethyl)-4-methyl-1H-pyrazole?
The IUPAC name of 3-chloro-5-(difluoromethyl)-4-methyl-1H-pyrazole (CID 155301301) is 3-chloro-5-(difluoromethyl)-4-methyl-1H-pyrazole.
What is the SMILES notation for 3-chloro-5-(difluoromethyl)-4-methyl-1H-pyrazole?
The canonical SMILES for 3-chloro-5-(difluoromethyl)-4-methyl-1H-pyrazole is Cc1c(Cl)n[nH]c1C(F)F.
What is the InChIKey of 3-chloro-5-(difluoromethyl)-4-methyl-1H-pyrazole?
The InChIKey is UABGIGSZXGQVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClF2N2/c1-2-3(5(7)8)9-10-4(2)6/h5H,1H3,(H,9,10).
What are the key properties of 3-chloro-5-(difluoromethyl)-4-methyl-1H-pyrazole?
3-chloro-5-(difluoromethyl)-4-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 3-chloro-5-(difluoromethyl)-4-methyl-1H-pyrazole is sourced from PubChem (CID 155301301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).