3-(5-chloro-1,3-dimethylpyrazol-4-yl)-1,1-difluoropropan-2-amine

C8H12ClF2N3 — CID 103517071

IUPAC3-(5-chloro-1,3-dimethylpyrazol-4-yl)-1,1-difluoropropan-2-amine
SMILESCc1nn(C)c(Cl)c1CC(N)C(F)F
InChIInChI=1S/C8H12ClF2N3/c1-4-5(3-6(12)8(10)11)7(9)14(2)13-4/h6,8H,3,12H2,1-2H3
InChIKeyTUSZDRFEJCLCIH-UHFFFAOYSA-N
MW223.65 g/mol
LogP1.52
Rot. Bonds3

About 3-(5-chloro-1,3-dimethylpyrazol-4-yl)-1,1-difluoropropan-2-amine

3-(5-chloro-1,3-dimethylpyrazol-4-yl)-1,1-difluoropropan-2-amine (PubChem CID 103517071) has the molecular formula C8H12ClF2N3 and a molecular weight of 223.65 g/mol. Its IUPAC name is 3-(5-chloro-1,3-dimethylpyrazol-4-yl)-1,1-difluoropropan-2-amine.

Molecular Properties

Compound Name3-(5-chloro-1,3-dimethylpyrazol-4-yl)-1,1-difluoropropan-2-amine
PubChem CID103517071
Molecular FormulaC8H12ClF2N3
Molecular Weight223.65 g/mol
Exact Mass223.07
IUPAC Name3-(5-chloro-1,3-dimethylpyrazol-4-yl)-1,1-difluoropropan-2-amine
SMILESCc1nn(C)c(Cl)c1CC(N)C(F)F
InChIInChI=1S/C8H12ClF2N3/c1-4-5(3-6(12)8(10)11)7(9)14(2)13-4/h6,8H,3,12H2,1-2H3
InChIKeyTUSZDRFEJCLCIH-UHFFFAOYSA-N
XLogP1.52
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.65
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-1,3-dimethylpyrazol-4-yl)-1,1-difluoropropan-2-amine?
The IUPAC name of 3-(5-chloro-1,3-dimethylpyrazol-4-yl)-1,1-difluoropropan-2-amine (CID 103517071) is 3-(5-chloro-1,3-dimethylpyrazol-4-yl)-1,1-difluoropropan-2-amine.
What is the SMILES notation for 3-(5-chloro-1,3-dimethylpyrazol-4-yl)-1,1-difluoropropan-2-amine?
The canonical SMILES for 3-(5-chloro-1,3-dimethylpyrazol-4-yl)-1,1-difluoropropan-2-amine is Cc1nn(C)c(Cl)c1CC(N)C(F)F.
What is the InChIKey of 3-(5-chloro-1,3-dimethylpyrazol-4-yl)-1,1-difluoropropan-2-amine?
The InChIKey is TUSZDRFEJCLCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClF2N3/c1-4-5(3-6(12)8(10)11)7(9)14(2)13-4/h6,8H,3,12H2,1-2H3.
What are the key properties of 3-(5-chloro-1,3-dimethylpyrazol-4-yl)-1,1-difluoropropan-2-amine?
3-(5-chloro-1,3-dimethylpyrazol-4-yl)-1,1-difluoropropan-2-amine has a molecular weight of 223.65 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-1,3-dimethylpyrazol-4-yl)-1,1-difluoropropan-2-amine is sourced from PubChem (CID 103517071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).