1-(4-ethoxy-2,6-difluorophenyl)-5-propylpyrazol-4-amine

C14H17F2N3O — CID 46928291

IUPAC1-(4-ethoxy-2,6-difluorophenyl)-5-propylpyrazol-4-amine
SMILESCCCc1c(N)cnn1-c1c(F)cc(OCC)cc1F
InChIInChI=1S/C14H17F2N3O/c1-3-5-13-12(17)8-18-19(13)14-10(15)6-9(20-4-2)7-11(14)16/h6-8H,3-5,17H2,1-2H3
InChIKeyUULMIPZWIUHWPN-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.08
Rot. Bonds5

About 1-(4-ethoxy-2,6-difluorophenyl)-5-propylpyrazol-4-amine

1-(4-ethoxy-2,6-difluorophenyl)-5-propylpyrazol-4-amine (PubChem CID 46928291) has the molecular formula C14H17F2N3O and a molecular weight of 281.31 g/mol. Its IUPAC name is 1-(4-ethoxy-2,6-difluorophenyl)-5-propylpyrazol-4-amine.

Molecular Properties

Compound Name1-(4-ethoxy-2,6-difluorophenyl)-5-propylpyrazol-4-amine
PubChem CID46928291
Molecular FormulaC14H17F2N3O
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name1-(4-ethoxy-2,6-difluorophenyl)-5-propylpyrazol-4-amine
SMILESCCCc1c(N)cnn1-c1c(F)cc(OCC)cc1F
InChIInChI=1S/C14H17F2N3O/c1-3-5-13-12(17)8-18-19(13)14-10(15)6-9(20-4-2)7-11(14)16/h6-8H,3-5,17H2,1-2H3
InChIKeyUULMIPZWIUHWPN-UHFFFAOYSA-N
XLogP3.08
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-2,6-difluorophenyl)-5-propylpyrazol-4-amine?
The IUPAC name of 1-(4-ethoxy-2,6-difluorophenyl)-5-propylpyrazol-4-amine (CID 46928291) is 1-(4-ethoxy-2,6-difluorophenyl)-5-propylpyrazol-4-amine.
What is the SMILES notation for 1-(4-ethoxy-2,6-difluorophenyl)-5-propylpyrazol-4-amine?
The canonical SMILES for 1-(4-ethoxy-2,6-difluorophenyl)-5-propylpyrazol-4-amine is CCCc1c(N)cnn1-c1c(F)cc(OCC)cc1F.
What is the InChIKey of 1-(4-ethoxy-2,6-difluorophenyl)-5-propylpyrazol-4-amine?
The InChIKey is UULMIPZWIUHWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3O/c1-3-5-13-12(17)8-18-19(13)14-10(15)6-9(20-4-2)7-11(14)16/h6-8H,3-5,17H2,1-2H3.
What are the key properties of 1-(4-ethoxy-2,6-difluorophenyl)-5-propylpyrazol-4-amine?
1-(4-ethoxy-2,6-difluorophenyl)-5-propylpyrazol-4-amine has a molecular weight of 281.31 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-2,6-difluorophenyl)-5-propylpyrazol-4-amine is sourced from PubChem (CID 46928291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).