1-ethyl-5-N-(3-fluoro-4-methoxyphenyl)-3-methylpyrazole-4,5-diamine

C13H17FN4O — CID 66013792

IUPAC1-ethyl-5-N-(3-fluoro-4-methoxyphenyl)-3-methylpyrazole-4,5-diamine
SMILESCCn1nc(C)c(N)c1Nc1ccc(OC)c(F)c1
InChIInChI=1S/C13H17FN4O/c1-4-18-13(12(15)8(2)17-18)16-9-5-6-11(19-3)10(14)7-9/h5-7,16H,4,15H2,1-3H3
InChIKeyDDHCTQSIDFIFQJ-UHFFFAOYSA-N
MW264.30 g/mol
LogP2.68
Rot. Bonds4

About 1-ethyl-5-N-(3-fluoro-4-methoxyphenyl)-3-methylpyrazole-4,5-diamine

1-ethyl-5-N-(3-fluoro-4-methoxyphenyl)-3-methylpyrazole-4,5-diamine (PubChem CID 66013792) has the molecular formula C13H17FN4O and a molecular weight of 264.30 g/mol. Its IUPAC name is 1-ethyl-5-N-(3-fluoro-4-methoxyphenyl)-3-methylpyrazole-4,5-diamine.

Molecular Properties

Compound Name1-ethyl-5-N-(3-fluoro-4-methoxyphenyl)-3-methylpyrazole-4,5-diamine
PubChem CID66013792
Molecular FormulaC13H17FN4O
Molecular Weight264.30 g/mol
Exact Mass264.14
IUPAC Name1-ethyl-5-N-(3-fluoro-4-methoxyphenyl)-3-methylpyrazole-4,5-diamine
SMILESCCn1nc(C)c(N)c1Nc1ccc(OC)c(F)c1
InChIInChI=1S/C13H17FN4O/c1-4-18-13(12(15)8(2)17-18)16-9-5-6-11(19-3)10(14)7-9/h5-7,16H,4,15H2,1-3H3
InChIKeyDDHCTQSIDFIFQJ-UHFFFAOYSA-N
XLogP2.68
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-N-(3-fluoro-4-methoxyphenyl)-3-methylpyrazole-4,5-diamine?
The IUPAC name of 1-ethyl-5-N-(3-fluoro-4-methoxyphenyl)-3-methylpyrazole-4,5-diamine (CID 66013792) is 1-ethyl-5-N-(3-fluoro-4-methoxyphenyl)-3-methylpyrazole-4,5-diamine.
What is the SMILES notation for 1-ethyl-5-N-(3-fluoro-4-methoxyphenyl)-3-methylpyrazole-4,5-diamine?
The canonical SMILES for 1-ethyl-5-N-(3-fluoro-4-methoxyphenyl)-3-methylpyrazole-4,5-diamine is CCn1nc(C)c(N)c1Nc1ccc(OC)c(F)c1.
What is the InChIKey of 1-ethyl-5-N-(3-fluoro-4-methoxyphenyl)-3-methylpyrazole-4,5-diamine?
The InChIKey is DDHCTQSIDFIFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4O/c1-4-18-13(12(15)8(2)17-18)16-9-5-6-11(19-3)10(14)7-9/h5-7,16H,4,15H2,1-3H3.
What are the key properties of 1-ethyl-5-N-(3-fluoro-4-methoxyphenyl)-3-methylpyrazole-4,5-diamine?
1-ethyl-5-N-(3-fluoro-4-methoxyphenyl)-3-methylpyrazole-4,5-diamine has a molecular weight of 264.30 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-N-(3-fluoro-4-methoxyphenyl)-3-methylpyrazole-4,5-diamine is sourced from PubChem (CID 66013792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).