5-(difluoromethoxy)-1-methyl-N-propan-2-ylpyrazol-3-amine

C8H13F2N3O — CID 130718075

IUPAC5-(difluoromethoxy)-1-methyl-N-propan-2-ylpyrazol-3-amine
SMILESCC(C)Nc1cc(OC(F)F)n(C)n1
InChIInChI=1S/C8H13F2N3O/c1-5(2)11-6-4-7(13(3)12-6)14-8(9)10/h4-5,8H,1-3H3,(H,11,12)
InChIKeyGCIQTCXIJSVMPG-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.84
Rot. Bonds4

About 5-(difluoromethoxy)-1-methyl-N-propan-2-ylpyrazol-3-amine

5-(difluoromethoxy)-1-methyl-N-propan-2-ylpyrazol-3-amine (PubChem CID 130718075) has the molecular formula C8H13F2N3O and a molecular weight of 205.21 g/mol. Its IUPAC name is 5-(difluoromethoxy)-1-methyl-N-propan-2-ylpyrazol-3-amine.

Molecular Properties

Compound Name5-(difluoromethoxy)-1-methyl-N-propan-2-ylpyrazol-3-amine
PubChem CID130718075
Molecular FormulaC8H13F2N3O
Molecular Weight205.21 g/mol
Exact Mass205.10
IUPAC Name5-(difluoromethoxy)-1-methyl-N-propan-2-ylpyrazol-3-amine
SMILESCC(C)Nc1cc(OC(F)F)n(C)n1
InChIInChI=1S/C8H13F2N3O/c1-5(2)11-6-4-7(13(3)12-6)14-8(9)10/h4-5,8H,1-3H3,(H,11,12)
InChIKeyGCIQTCXIJSVMPG-UHFFFAOYSA-N
XLogP1.84
TPSA39.08 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 ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethoxy)-1-methyl-N-propan-2-ylpyrazol-3-amine?
The IUPAC name of 5-(difluoromethoxy)-1-methyl-N-propan-2-ylpyrazol-3-amine (CID 130718075) is 5-(difluoromethoxy)-1-methyl-N-propan-2-ylpyrazol-3-amine.
What is the SMILES notation for 5-(difluoromethoxy)-1-methyl-N-propan-2-ylpyrazol-3-amine?
The canonical SMILES for 5-(difluoromethoxy)-1-methyl-N-propan-2-ylpyrazol-3-amine is CC(C)Nc1cc(OC(F)F)n(C)n1.
What is the InChIKey of 5-(difluoromethoxy)-1-methyl-N-propan-2-ylpyrazol-3-amine?
The InChIKey is GCIQTCXIJSVMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N3O/c1-5(2)11-6-4-7(13(3)12-6)14-8(9)10/h4-5,8H,1-3H3,(H,11,12).
What are the key properties of 5-(difluoromethoxy)-1-methyl-N-propan-2-ylpyrazol-3-amine?
5-(difluoromethoxy)-1-methyl-N-propan-2-ylpyrazol-3-amine has a molecular weight of 205.21 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxy)-1-methyl-N-propan-2-ylpyrazol-3-amine is sourced from PubChem (CID 130718075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).