5-(difluoromethoxy)-1-methyl-N-prop-2-ynylpyrazol-3-amine

C8H9F2N3O — CID 130685069

IUPAC5-(difluoromethoxy)-1-methyl-N-prop-2-ynylpyrazol-3-amine
SMILESC#CCNc1cc(OC(F)F)n(C)n1
InChIInChI=1S/C8H9F2N3O/c1-3-4-11-6-5-7(13(2)12-6)14-8(9)10/h1,5,8H,4H2,2H3,(H,11,12)
InChIKeyAWRZSGMPTBTNGO-UHFFFAOYSA-N
MW201.18 g/mol
LogP1.07
Rot. Bonds4

About 5-(difluoromethoxy)-1-methyl-N-prop-2-ynylpyrazol-3-amine

5-(difluoromethoxy)-1-methyl-N-prop-2-ynylpyrazol-3-amine (PubChem CID 130685069) has the molecular formula C8H9F2N3O and a molecular weight of 201.18 g/mol. Its IUPAC name is 5-(difluoromethoxy)-1-methyl-N-prop-2-ynylpyrazol-3-amine.

Molecular Properties

Compound Name5-(difluoromethoxy)-1-methyl-N-prop-2-ynylpyrazol-3-amine
PubChem CID130685069
Molecular FormulaC8H9F2N3O
Molecular Weight201.18 g/mol
Exact Mass201.07
IUPAC Name5-(difluoromethoxy)-1-methyl-N-prop-2-ynylpyrazol-3-amine
SMILESC#CCNc1cc(OC(F)F)n(C)n1
InChIInChI=1S/C8H9F2N3O/c1-3-4-11-6-5-7(13(2)12-6)14-8(9)10/h1,5,8H,4H2,2H3,(H,11,12)
InChIKeyAWRZSGMPTBTNGO-UHFFFAOYSA-N
XLogP1.07
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.18
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethoxy)-1-methyl-N-prop-2-ynylpyrazol-3-amine?
The IUPAC name of 5-(difluoromethoxy)-1-methyl-N-prop-2-ynylpyrazol-3-amine (CID 130685069) is 5-(difluoromethoxy)-1-methyl-N-prop-2-ynylpyrazol-3-amine.
What is the SMILES notation for 5-(difluoromethoxy)-1-methyl-N-prop-2-ynylpyrazol-3-amine?
The canonical SMILES for 5-(difluoromethoxy)-1-methyl-N-prop-2-ynylpyrazol-3-amine is C#CCNc1cc(OC(F)F)n(C)n1.
What is the InChIKey of 5-(difluoromethoxy)-1-methyl-N-prop-2-ynylpyrazol-3-amine?
The InChIKey is AWRZSGMPTBTNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2N3O/c1-3-4-11-6-5-7(13(2)12-6)14-8(9)10/h1,5,8H,4H2,2H3,(H,11,12).
What are the key properties of 5-(difluoromethoxy)-1-methyl-N-prop-2-ynylpyrazol-3-amine?
5-(difluoromethoxy)-1-methyl-N-prop-2-ynylpyrazol-3-amine has a molecular weight of 201.18 g/mol, XLogP of 1.07, 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-prop-2-ynylpyrazol-3-amine is sourced from PubChem (CID 130685069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).