5-N-(2,2-difluoroethyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine

C9H16F2N4 — CID 115405384

IUPAC5-N-(2,2-difluoroethyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
SMILESCc1nn(C(C)C)c(NCC(F)F)c1N
InChIInChI=1S/C9H16F2N4/c1-5(2)15-9(13-4-7(10)11)8(12)6(3)14-15/h5,7,13H,4,12H2,1-3H3
InChIKeyJPVPAFOWGRCOBK-UHFFFAOYSA-N
MW218.25 g/mol
LogP2.03
Rot. Bonds4

About 5-N-(2,2-difluoroethyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine

5-N-(2,2-difluoroethyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine (PubChem CID 115405384) has the molecular formula C9H16F2N4 and a molecular weight of 218.25 g/mol. Its IUPAC name is 5-N-(2,2-difluoroethyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-(2,2-difluoroethyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
PubChem CID115405384
Molecular FormulaC9H16F2N4
Molecular Weight218.25 g/mol
Exact Mass218.13
IUPAC Name5-N-(2,2-difluoroethyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
SMILESCc1nn(C(C)C)c(NCC(F)F)c1N
InChIInChI=1S/C9H16F2N4/c1-5(2)15-9(13-4-7(10)11)8(12)6(3)14-15/h5,7,13H,4,12H2,1-3H3
InChIKeyJPVPAFOWGRCOBK-UHFFFAOYSA-N
XLogP2.03
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-N-(2,2-difluoroethyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine?
The IUPAC name of 5-N-(2,2-difluoroethyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine (CID 115405384) is 5-N-(2,2-difluoroethyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-(2,2-difluoroethyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-(2,2-difluoroethyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine is Cc1nn(C(C)C)c(NCC(F)F)c1N.
What is the InChIKey of 5-N-(2,2-difluoroethyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine?
The InChIKey is JPVPAFOWGRCOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N4/c1-5(2)15-9(13-4-7(10)11)8(12)6(3)14-15/h5,7,13H,4,12H2,1-3H3.
What are the key properties of 5-N-(2,2-difluoroethyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine?
5-N-(2,2-difluoroethyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine has a molecular weight of 218.25 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2,2-difluoroethyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine is sourced from PubChem (CID 115405384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).