5-N-[2-(difluoromethoxy)phenyl]-1-ethyl-3-methylpyrazole-4,5-diamine

C13H16F2N4O — CID 66011635

IUPAC5-N-[2-(difluoromethoxy)phenyl]-1-ethyl-3-methylpyrazole-4,5-diamine
SMILESCCn1nc(C)c(N)c1Nc1ccccc1OC(F)F
InChIInChI=1S/C13H16F2N4O/c1-3-19-12(11(16)8(2)18-19)17-9-6-4-5-7-10(9)20-13(14)15/h4-7,13,17H,3,16H2,1-2H3
InChIKeyIKXKXEXEXJEZRD-UHFFFAOYSA-N
MW282.29 g/mol
LogP3.14
Rot. Bonds5

About 5-N-[2-(difluoromethoxy)phenyl]-1-ethyl-3-methylpyrazole-4,5-diamine

5-N-[2-(difluoromethoxy)phenyl]-1-ethyl-3-methylpyrazole-4,5-diamine (PubChem CID 66011635) has the molecular formula C13H16F2N4O and a molecular weight of 282.29 g/mol. Its IUPAC name is 5-N-[2-(difluoromethoxy)phenyl]-1-ethyl-3-methylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-[2-(difluoromethoxy)phenyl]-1-ethyl-3-methylpyrazole-4,5-diamine
PubChem CID66011635
Molecular FormulaC13H16F2N4O
Molecular Weight282.29 g/mol
Exact Mass282.13
IUPAC Name5-N-[2-(difluoromethoxy)phenyl]-1-ethyl-3-methylpyrazole-4,5-diamine
SMILESCCn1nc(C)c(N)c1Nc1ccccc1OC(F)F
InChIInChI=1S/C13H16F2N4O/c1-3-19-12(11(16)8(2)18-19)17-9-6-4-5-7-10(9)20-13(14)15/h4-7,13,17H,3,16H2,1-2H3
InChIKeyIKXKXEXEXJEZRD-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-5-N-[2-(2-methoxyethyl)phenyl]-3-methylpyrazole-4,5-diamine
CID 102903455
1-ethyl-3-methyl-5-N-(2-methylquinolin-8-yl)pyrazole-4,5-diamine
CID 66012854
5-N-[4-(difluoromethoxy)phenyl]-3-methyl-1-propylpyrazole-4,5-diamine
CID 66027035
1-ethyl-5-N-(4-methoxy-2-methylphenyl)-3-methylpyrazole-4,5-diamine
CID 66012072
2-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]-5-fluorobenzonitrile
CID 82014680
5-N-(2,2-difluoroethyl)-1-ethyl-3-methylpyrazole-4,5-diamine
CID 115405464
5-N-[2-chloro-4-(trifluoromethyl)phenyl]-1-ethyl-3-methylpyrazole-4,5-diamine
CID 66010914
5-N-(3,4-dimethylphenyl)-1-ethyl-3-methylpyrazole-4,5-diamine
CID 66012411
1-ethyl-3-methyl-5-N-[1-(2-methylphenyl)ethyl]pyrazole-4,5-diamine
CID 66013032
4-N-[2-(difluoromethoxy)phenyl]-6-N-ethylpyrimidine-2,4,6-triamine
CID 80729422
1-ethyl-3-methyl-5-N-(4-propylphenyl)pyrazole-4,5-diamine
CID 66013596
2-N-[2-(difluoromethoxy)phenyl]-4-methylpyridine-2,5-diamine
CID 79172716

Frequently Asked Questions

What is the IUPAC name of 5-N-[2-(difluoromethoxy)phenyl]-1-ethyl-3-methylpyrazole-4,5-diamine?
The IUPAC name of 5-N-[2-(difluoromethoxy)phenyl]-1-ethyl-3-methylpyrazole-4,5-diamine (CID 66011635) is 5-N-[2-(difluoromethoxy)phenyl]-1-ethyl-3-methylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-[2-(difluoromethoxy)phenyl]-1-ethyl-3-methylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-[2-(difluoromethoxy)phenyl]-1-ethyl-3-methylpyrazole-4,5-diamine is CCn1nc(C)c(N)c1Nc1ccccc1OC(F)F.
What is the InChIKey of 5-N-[2-(difluoromethoxy)phenyl]-1-ethyl-3-methylpyrazole-4,5-diamine?
The InChIKey is IKXKXEXEXJEZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N4O/c1-3-19-12(11(16)8(2)18-19)17-9-6-4-5-7-10(9)20-13(14)15/h4-7,13,17H,3,16H2,1-2H3.
What are the key properties of 5-N-[2-(difluoromethoxy)phenyl]-1-ethyl-3-methylpyrazole-4,5-diamine?
5-N-[2-(difluoromethoxy)phenyl]-1-ethyl-3-methylpyrazole-4,5-diamine has a molecular weight of 282.29 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[2-(difluoromethoxy)phenyl]-1-ethyl-3-methylpyrazole-4,5-diamine is sourced from PubChem (CID 66011635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).