2-[4-chloro-1-(difluoromethyl)pyrazol-3-yl]propan-2-ylazanium chloride

C7H11Cl2F2N3 — CID 166163799

IUPAC2-[4-chloro-1-(difluoromethyl)pyrazol-3-yl]propan-2-ylazanium chloride
SMILESCC(C)([NH3+])c1nn(C(F)F)cc1Cl.[Cl-]
InChIInChI=1S/C7H10ClF2N3.ClH/c1-7(2,11)5-4(8)3-13(12-5)6(9)10;/h3,6H,11H2,1-2H3;1H
InChIKeyHLEBBQDHGIGNTQ-UHFFFAOYSA-N
MW246.09 g/mol
LogP-1.59
Rot. Bonds2

About 2-[4-chloro-1-(difluoromethyl)pyrazol-3-yl]propan-2-ylazanium chloride

2-[4-chloro-1-(difluoromethyl)pyrazol-3-yl]propan-2-ylazanium chloride (PubChem CID 166163799) has the molecular formula C7H11Cl2F2N3 and a molecular weight of 246.09 g/mol. Its IUPAC name is 2-[4-chloro-1-(difluoromethyl)pyrazol-3-yl]propan-2-ylazanium chloride.

Molecular Properties

Compound Name2-[4-chloro-1-(difluoromethyl)pyrazol-3-yl]propan-2-ylazanium chloride
PubChem CID166163799
Molecular FormulaC7H11Cl2F2N3
Molecular Weight246.09 g/mol
Exact Mass245.03
IUPAC Name2-[4-chloro-1-(difluoromethyl)pyrazol-3-yl]propan-2-ylazanium chloride
SMILESCC(C)([NH3+])c1nn(C(F)F)cc1Cl.[Cl-]
InChIInChI=1S/C7H10ClF2N3.ClH/c1-7(2,11)5-4(8)3-13(12-5)6(9)10;/h3,6H,11H2,1-2H3;1H
InChIKeyHLEBBQDHGIGNTQ-UHFFFAOYSA-N
XLogP-1.59
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.09
LogP ≤ 5-1.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-1-(difluoromethyl)pyrazol-3-yl]propan-2-ylazanium chloride?
The IUPAC name of 2-[4-chloro-1-(difluoromethyl)pyrazol-3-yl]propan-2-ylazanium chloride (CID 166163799) is 2-[4-chloro-1-(difluoromethyl)pyrazol-3-yl]propan-2-ylazanium chloride.
What is the SMILES notation for 2-[4-chloro-1-(difluoromethyl)pyrazol-3-yl]propan-2-ylazanium chloride?
The canonical SMILES for 2-[4-chloro-1-(difluoromethyl)pyrazol-3-yl]propan-2-ylazanium chloride is CC(C)([NH3+])c1nn(C(F)F)cc1Cl.[Cl-].
What is the InChIKey of 2-[4-chloro-1-(difluoromethyl)pyrazol-3-yl]propan-2-ylazanium chloride?
The InChIKey is HLEBBQDHGIGNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClF2N3.ClH/c1-7(2,11)5-4(8)3-13(12-5)6(9)10;/h3,6H,11H2,1-2H3;1H.
What are the key properties of 2-[4-chloro-1-(difluoromethyl)pyrazol-3-yl]propan-2-ylazanium chloride?
2-[4-chloro-1-(difluoromethyl)pyrazol-3-yl]propan-2-ylazanium chloride has a molecular weight of 246.09 g/mol, XLogP of -1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-1-(difluoromethyl)pyrazol-3-yl]propan-2-ylazanium chloride is sourced from PubChem (CID 166163799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).