5-N-[4-(difluoromethoxy)phenyl]-3-ethyl-1-methylpyrazole-4,5-diamine

C13H16F2N4O — CID 66015583

IUPAC5-N-[4-(difluoromethoxy)phenyl]-3-ethyl-1-methylpyrazole-4,5-diamine
SMILESCCc1nn(C)c(Nc2ccc(OC(F)F)cc2)c1N
InChIInChI=1S/C13H16F2N4O/c1-3-10-11(16)12(19(2)18-10)17-8-4-6-9(7-5-8)20-13(14)15/h4-7,13,17H,3,16H2,1-2H3
InChIKeyKCRYLCZLQPTTPL-UHFFFAOYSA-N
MW282.29 g/mol
LogP2.91
Rot. Bonds5

About 5-N-[4-(difluoromethoxy)phenyl]-3-ethyl-1-methylpyrazole-4,5-diamine

5-N-[4-(difluoromethoxy)phenyl]-3-ethyl-1-methylpyrazole-4,5-diamine (PubChem CID 66015583) has the molecular formula C13H16F2N4O and a molecular weight of 282.29 g/mol. Its IUPAC name is 5-N-[4-(difluoromethoxy)phenyl]-3-ethyl-1-methylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-[4-(difluoromethoxy)phenyl]-3-ethyl-1-methylpyrazole-4,5-diamine
PubChem CID66015583
Molecular FormulaC13H16F2N4O
Molecular Weight282.29 g/mol
Exact Mass282.13
IUPAC Name5-N-[4-(difluoromethoxy)phenyl]-3-ethyl-1-methylpyrazole-4,5-diamine
SMILESCCc1nn(C)c(Nc2ccc(OC(F)F)cc2)c1N
InChIInChI=1S/C13H16F2N4O/c1-3-10-11(16)12(19(2)18-10)17-8-4-6-9(7-5-8)20-13(14)15/h4-7,13,17H,3,16H2,1-2H3
InChIKeyKCRYLCZLQPTTPL-UHFFFAOYSA-N
XLogP2.91
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N-[4-(difluoromethoxy)phenyl]-3-ethyl-1-methylpyrazole-4,5-diamine?
The IUPAC name of 5-N-[4-(difluoromethoxy)phenyl]-3-ethyl-1-methylpyrazole-4,5-diamine (CID 66015583) is 5-N-[4-(difluoromethoxy)phenyl]-3-ethyl-1-methylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-[4-(difluoromethoxy)phenyl]-3-ethyl-1-methylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-[4-(difluoromethoxy)phenyl]-3-ethyl-1-methylpyrazole-4,5-diamine is CCc1nn(C)c(Nc2ccc(OC(F)F)cc2)c1N.
What is the InChIKey of 5-N-[4-(difluoromethoxy)phenyl]-3-ethyl-1-methylpyrazole-4,5-diamine?
The InChIKey is KCRYLCZLQPTTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N4O/c1-3-10-11(16)12(19(2)18-10)17-8-4-6-9(7-5-8)20-13(14)15/h4-7,13,17H,3,16H2,1-2H3.
What are the key properties of 5-N-[4-(difluoromethoxy)phenyl]-3-ethyl-1-methylpyrazole-4,5-diamine?
5-N-[4-(difluoromethoxy)phenyl]-3-ethyl-1-methylpyrazole-4,5-diamine has a molecular weight of 282.29 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[4-(difluoromethoxy)phenyl]-3-ethyl-1-methylpyrazole-4,5-diamine is sourced from PubChem (CID 66015583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).