3-(2,2-difluoroethoxy)-1,5-dimethylpyrazol-4-amine

C7H11F2N3O — CID 50896535

IUPAC3-(2,2-difluoroethoxy)-1,5-dimethylpyrazol-4-amine
SMILESCc1c(N)c(OCC(F)F)nn1C
InChIInChI=1S/C7H11F2N3O/c1-4-6(10)7(11-12(4)2)13-3-5(8)9/h5H,3,10H2,1-2H3
InChIKeyRJRVBKHDSZFJJE-UHFFFAOYSA-N
MW191.18 g/mol
LogP0.95
Rot. Bonds3

About 3-(2,2-difluoroethoxy)-1,5-dimethylpyrazol-4-amine

3-(2,2-difluoroethoxy)-1,5-dimethylpyrazol-4-amine (PubChem CID 50896535) has the molecular formula C7H11F2N3O and a molecular weight of 191.18 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-1,5-dimethylpyrazol-4-amine.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-1,5-dimethylpyrazol-4-amine
PubChem CID50896535
Molecular FormulaC7H11F2N3O
Molecular Weight191.18 g/mol
Exact Mass191.09
IUPAC Name3-(2,2-difluoroethoxy)-1,5-dimethylpyrazol-4-amine
SMILESCc1c(N)c(OCC(F)F)nn1C
InChIInChI=1S/C7H11F2N3O/c1-4-6(10)7(11-12(4)2)13-3-5(8)9/h5H,3,10H2,1-2H3
InChIKeyRJRVBKHDSZFJJE-UHFFFAOYSA-N
XLogP0.95
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.18
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-1,5-dimethylpyrazol-4-amine?
The IUPAC name of 3-(2,2-difluoroethoxy)-1,5-dimethylpyrazol-4-amine (CID 50896535) is 3-(2,2-difluoroethoxy)-1,5-dimethylpyrazol-4-amine.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-1,5-dimethylpyrazol-4-amine?
The canonical SMILES for 3-(2,2-difluoroethoxy)-1,5-dimethylpyrazol-4-amine is Cc1c(N)c(OCC(F)F)nn1C.
What is the InChIKey of 3-(2,2-difluoroethoxy)-1,5-dimethylpyrazol-4-amine?
The InChIKey is RJRVBKHDSZFJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N3O/c1-4-6(10)7(11-12(4)2)13-3-5(8)9/h5H,3,10H2,1-2H3.
What are the key properties of 3-(2,2-difluoroethoxy)-1,5-dimethylpyrazol-4-amine?
3-(2,2-difluoroethoxy)-1,5-dimethylpyrazol-4-amine has a molecular weight of 191.18 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-1,5-dimethylpyrazol-4-amine is sourced from PubChem (CID 50896535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).