N-(2,2-difluoroethyl)-1-(1,3-dimethylpyrazol-4-yl)ethane-1,2-diamine

C9H16F2N4 — CID 83089687

IUPACN-(2,2-difluoroethyl)-1-(1,3-dimethylpyrazol-4-yl)ethane-1,2-diamine
SMILESCc1nn(C)cc1C(CN)NCC(F)F
InChIInChI=1S/C9H16F2N4/c1-6-7(5-15(2)14-6)8(3-12)13-4-9(10)11/h5,8-9,13H,3-4,12H2,1-2H3
InChIKeyKVOGXVZHWOKZRZ-UHFFFAOYSA-N
MW218.25 g/mol
LogP0.58
Rot. Bonds5

About N-(2,2-difluoroethyl)-1-(1,3-dimethylpyrazol-4-yl)ethane-1,2-diamine

N-(2,2-difluoroethyl)-1-(1,3-dimethylpyrazol-4-yl)ethane-1,2-diamine (PubChem CID 83089687) has the molecular formula C9H16F2N4 and a molecular weight of 218.25 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-1-(1,3-dimethylpyrazol-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-1-(1,3-dimethylpyrazol-4-yl)ethane-1,2-diamine
PubChem CID83089687
Molecular FormulaC9H16F2N4
Molecular Weight218.25 g/mol
Exact Mass218.13
IUPAC NameN-(2,2-difluoroethyl)-1-(1,3-dimethylpyrazol-4-yl)ethane-1,2-diamine
SMILESCc1nn(C)cc1C(CN)NCC(F)F
InChIInChI=1S/C9H16F2N4/c1-6-7(5-15(2)14-6)8(3-12)13-4-9(10)11/h5,8-9,13H,3-4,12H2,1-2H3
InChIKeyKVOGXVZHWOKZRZ-UHFFFAOYSA-N
XLogP0.58
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-difluoroethyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 112669590
1-(1,3-dimethylpyrazol-4-yl)-N-(2-methoxypropyl)ethane-1,2-diamine
CID 102697079
N-(2-cyclopropylpropyl)-1-(1,3-dimethylpyrazol-4-yl)ethane-1,2-diamine
CID 113475087
(1R)-2-amino-1-(1,3-dimethylpyrazol-4-yl)ethanol
CID 83000950
2-(1,3-dimethylpyrazol-4-yl)-2-methoxyethanamine
CID 83095091
N-(3-bromo-4-fluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethane-1,2-diamine
CID 104776437
1-(1,3-dimethylpyrazol-4-yl)-N-hex-1-yn-3-ylethane-1,2-diamine
CID 106228337
N-(2,2-difluoroethyl)-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
CID 115406189
N-(2,2-difluoroethyl)-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine
CID 115406339
1-(1,3-dimethylpyrazol-4-yl)-2-(propan-2-ylamino)ethanol
CID 83095157
(2R)-1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]propan-2-ol
CID 103906693
2-(3,5-difluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)-N-ethylethanamine
CID 102804672

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-1-(1,3-dimethylpyrazol-4-yl)ethane-1,2-diamine?
The IUPAC name of N-(2,2-difluoroethyl)-1-(1,3-dimethylpyrazol-4-yl)ethane-1,2-diamine (CID 83089687) is N-(2,2-difluoroethyl)-1-(1,3-dimethylpyrazol-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(2,2-difluoroethyl)-1-(1,3-dimethylpyrazol-4-yl)ethane-1,2-diamine?
The canonical SMILES for N-(2,2-difluoroethyl)-1-(1,3-dimethylpyrazol-4-yl)ethane-1,2-diamine is Cc1nn(C)cc1C(CN)NCC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-1-(1,3-dimethylpyrazol-4-yl)ethane-1,2-diamine?
The InChIKey is KVOGXVZHWOKZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N4/c1-6-7(5-15(2)14-6)8(3-12)13-4-9(10)11/h5,8-9,13H,3-4,12H2,1-2H3.
What are the key properties of N-(2,2-difluoroethyl)-1-(1,3-dimethylpyrazol-4-yl)ethane-1,2-diamine?
N-(2,2-difluoroethyl)-1-(1,3-dimethylpyrazol-4-yl)ethane-1,2-diamine has a molecular weight of 218.25 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-1-(1,3-dimethylpyrazol-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 83089687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).