1-(2,2-difluoroethyl)-N-(1-methoxypropan-2-yl)pyrazol-3-amine

C9H15F2N3O — CID 115674825

IUPAC1-(2,2-difluoroethyl)-N-(1-methoxypropan-2-yl)pyrazol-3-amine
SMILESCOCC(C)Nc1ccn(CC(F)F)n1
InChIInChI=1S/C9H15F2N3O/c1-7(6-15-2)12-9-3-4-14(13-9)5-8(10)11/h3-4,7-8H,5-6H2,1-2H3,(H,12,13)
InChIKeyUYHOHNOTDKTWBQ-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.60
Rot. Bonds6

About 1-(2,2-difluoroethyl)-N-(1-methoxypropan-2-yl)pyrazol-3-amine

1-(2,2-difluoroethyl)-N-(1-methoxypropan-2-yl)pyrazol-3-amine (PubChem CID 115674825) has the molecular formula C9H15F2N3O and a molecular weight of 219.24 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-N-(1-methoxypropan-2-yl)pyrazol-3-amine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-N-(1-methoxypropan-2-yl)pyrazol-3-amine
PubChem CID115674825
Molecular FormulaC9H15F2N3O
Molecular Weight219.24 g/mol
Exact Mass219.12
IUPAC Name1-(2,2-difluoroethyl)-N-(1-methoxypropan-2-yl)pyrazol-3-amine
SMILESCOCC(C)Nc1ccn(CC(F)F)n1
InChIInChI=1S/C9H15F2N3O/c1-7(6-15-2)12-9-3-4-14(13-9)5-8(10)11/h3-4,7-8H,5-6H2,1-2H3,(H,12,13)
InChIKeyUYHOHNOTDKTWBQ-UHFFFAOYSA-N
XLogP1.60
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-N-(1-methoxypropan-2-yl)pyrazol-3-amine?
The IUPAC name of 1-(2,2-difluoroethyl)-N-(1-methoxypropan-2-yl)pyrazol-3-amine (CID 115674825) is 1-(2,2-difluoroethyl)-N-(1-methoxypropan-2-yl)pyrazol-3-amine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-N-(1-methoxypropan-2-yl)pyrazol-3-amine?
The canonical SMILES for 1-(2,2-difluoroethyl)-N-(1-methoxypropan-2-yl)pyrazol-3-amine is COCC(C)Nc1ccn(CC(F)F)n1.
What is the InChIKey of 1-(2,2-difluoroethyl)-N-(1-methoxypropan-2-yl)pyrazol-3-amine?
The InChIKey is UYHOHNOTDKTWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N3O/c1-7(6-15-2)12-9-3-4-14(13-9)5-8(10)11/h3-4,7-8H,5-6H2,1-2H3,(H,12,13).
What are the key properties of 1-(2,2-difluoroethyl)-N-(1-methoxypropan-2-yl)pyrazol-3-amine?
1-(2,2-difluoroethyl)-N-(1-methoxypropan-2-yl)pyrazol-3-amine has a molecular weight of 219.24 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-N-(1-methoxypropan-2-yl)pyrazol-3-amine is sourced from PubChem (CID 115674825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).