1-[1-(difluoromethoxy)propan-2-yl]-3-methylpyrazol-4-amine

C8H13F2N3O — CID 135374451

IUPAC1-[1-(difluoromethoxy)propan-2-yl]-3-methylpyrazol-4-amine
SMILESCc1nn(C(C)COC(F)F)cc1N
InChIInChI=1S/C8H13F2N3O/c1-5(4-14-8(9)10)13-3-7(11)6(2)12-13/h3,5,8H,4,11H2,1-2H3
InChIKeyJUKZZVDAQWIZQR-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.57
Rot. Bonds4

About 1-[1-(difluoromethoxy)propan-2-yl]-3-methylpyrazol-4-amine

1-[1-(difluoromethoxy)propan-2-yl]-3-methylpyrazol-4-amine (PubChem CID 135374451) has the molecular formula C8H13F2N3O and a molecular weight of 205.21 g/mol. Its IUPAC name is 1-[1-(difluoromethoxy)propan-2-yl]-3-methylpyrazol-4-amine.

Molecular Properties

Compound Name1-[1-(difluoromethoxy)propan-2-yl]-3-methylpyrazol-4-amine
PubChem CID135374451
Molecular FormulaC8H13F2N3O
Molecular Weight205.21 g/mol
Exact Mass205.10
IUPAC Name1-[1-(difluoromethoxy)propan-2-yl]-3-methylpyrazol-4-amine
SMILESCc1nn(C(C)COC(F)F)cc1N
InChIInChI=1S/C8H13F2N3O/c1-5(4-14-8(9)10)13-3-7(11)6(2)12-13/h3,5,8H,4,11H2,1-2H3
InChIKeyJUKZZVDAQWIZQR-UHFFFAOYSA-N
XLogP1.57
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(difluoromethoxy)propan-2-yl]-3-methylpyrazol-4-amine?
The IUPAC name of 1-[1-(difluoromethoxy)propan-2-yl]-3-methylpyrazol-4-amine (CID 135374451) is 1-[1-(difluoromethoxy)propan-2-yl]-3-methylpyrazol-4-amine.
What is the SMILES notation for 1-[1-(difluoromethoxy)propan-2-yl]-3-methylpyrazol-4-amine?
The canonical SMILES for 1-[1-(difluoromethoxy)propan-2-yl]-3-methylpyrazol-4-amine is Cc1nn(C(C)COC(F)F)cc1N.
What is the InChIKey of 1-[1-(difluoromethoxy)propan-2-yl]-3-methylpyrazol-4-amine?
The InChIKey is JUKZZVDAQWIZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N3O/c1-5(4-14-8(9)10)13-3-7(11)6(2)12-13/h3,5,8H,4,11H2,1-2H3.
What are the key properties of 1-[1-(difluoromethoxy)propan-2-yl]-3-methylpyrazol-4-amine?
1-[1-(difluoromethoxy)propan-2-yl]-3-methylpyrazol-4-amine has a molecular weight of 205.21 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(difluoromethoxy)propan-2-yl]-3-methylpyrazol-4-amine is sourced from PubChem (CID 135374451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).