5-(2-aminohydrazinyl)-3-(difluoromethoxy)-1-methylpyrazole

C5H9F2N5O — CID 174343034

IUPAC5-(2-aminohydrazinyl)-3-(difluoromethoxy)-1-methylpyrazole
SMILESCn1nc(OC(F)F)cc1NNN
InChIInChI=1S/C5H9F2N5O/c1-12-3(9-11-8)2-4(10-12)13-5(6)7/h2,5,9,11H,8H2,1H3
InChIKeyKJBIZYTUPZWOPI-UHFFFAOYSA-N
MW193.16 g/mol
LogP-0.19
Rot. Bonds4

About 5-(2-aminohydrazinyl)-3-(difluoromethoxy)-1-methylpyrazole

5-(2-aminohydrazinyl)-3-(difluoromethoxy)-1-methylpyrazole (PubChem CID 174343034) has the molecular formula C5H9F2N5O and a molecular weight of 193.16 g/mol. Its IUPAC name is 5-(2-aminohydrazinyl)-3-(difluoromethoxy)-1-methylpyrazole.

Molecular Properties

Compound Name5-(2-aminohydrazinyl)-3-(difluoromethoxy)-1-methylpyrazole
PubChem CID174343034
Molecular FormulaC5H9F2N5O
Molecular Weight193.16 g/mol
Exact Mass193.08
IUPAC Name5-(2-aminohydrazinyl)-3-(difluoromethoxy)-1-methylpyrazole
SMILESCn1nc(OC(F)F)cc1NNN
InChIInChI=1S/C5H9F2N5O/c1-12-3(9-11-8)2-4(10-12)13-5(6)7/h2,5,9,11H,8H2,1H3
InChIKeyKJBIZYTUPZWOPI-UHFFFAOYSA-N
XLogP-0.19
TPSA77.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.16
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminohydrazinyl)-3-(difluoromethoxy)-1-methylpyrazole?
The IUPAC name of 5-(2-aminohydrazinyl)-3-(difluoromethoxy)-1-methylpyrazole (CID 174343034) is 5-(2-aminohydrazinyl)-3-(difluoromethoxy)-1-methylpyrazole.
What is the SMILES notation for 5-(2-aminohydrazinyl)-3-(difluoromethoxy)-1-methylpyrazole?
The canonical SMILES for 5-(2-aminohydrazinyl)-3-(difluoromethoxy)-1-methylpyrazole is Cn1nc(OC(F)F)cc1NNN.
What is the InChIKey of 5-(2-aminohydrazinyl)-3-(difluoromethoxy)-1-methylpyrazole?
The InChIKey is KJBIZYTUPZWOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2N5O/c1-12-3(9-11-8)2-4(10-12)13-5(6)7/h2,5,9,11H,8H2,1H3.
What are the key properties of 5-(2-aminohydrazinyl)-3-(difluoromethoxy)-1-methylpyrazole?
5-(2-aminohydrazinyl)-3-(difluoromethoxy)-1-methylpyrazole has a molecular weight of 193.16 g/mol, XLogP of -0.19, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminohydrazinyl)-3-(difluoromethoxy)-1-methylpyrazole is sourced from PubChem (CID 174343034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).