1-(4-fluorophenyl)-5-[3-(1,1,1-trifluoropropan-2-yloxymethyl)phenyl]pyrazol-3-amine

C19H17F4N3O — CID 89465816

IUPAC1-(4-fluorophenyl)-5-[3-(1,1,1-trifluoropropan-2-yloxymethyl)phenyl]pyrazol-3-amine
SMILESCC(OCc1cccc(-c2cc(N)nn2-c2ccc(F)cc2)c1)C(F)(F)F
InChIInChI=1S/C19H17F4N3O/c1-12(19(21,22)23)27-11-13-3-2-4-14(9-13)17-10-18(24)25-26(17)16-7-5-15(20)6-8-16/h2-10,12H,11H2,1H3,(H2,24,25)
InChIKeyHYTGBEIGNFJVFC-UHFFFAOYSA-N
MW379.36 g/mol
LogP4.73
Rot. Bonds5

About 1-(4-fluorophenyl)-5-[3-(1,1,1-trifluoropropan-2-yloxymethyl)phenyl]pyrazol-3-amine

1-(4-fluorophenyl)-5-[3-(1,1,1-trifluoropropan-2-yloxymethyl)phenyl]pyrazol-3-amine (PubChem CID 89465816) has the molecular formula C19H17F4N3O and a molecular weight of 379.36 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-[3-(1,1,1-trifluoropropan-2-yloxymethyl)phenyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-[3-(1,1,1-trifluoropropan-2-yloxymethyl)phenyl]pyrazol-3-amine
PubChem CID89465816
Molecular FormulaC19H17F4N3O
Molecular Weight379.36 g/mol
Exact Mass379.13
IUPAC Name1-(4-fluorophenyl)-5-[3-(1,1,1-trifluoropropan-2-yloxymethyl)phenyl]pyrazol-3-amine
SMILESCC(OCc1cccc(-c2cc(N)nn2-c2ccc(F)cc2)c1)C(F)(F)F
InChIInChI=1S/C19H17F4N3O/c1-12(19(21,22)23)27-11-13-3-2-4-14(9-13)17-10-18(24)25-26(17)16-7-5-15(20)6-8-16/h2-10,12H,11H2,1H3,(H2,24,25)
InChIKeyHYTGBEIGNFJVFC-UHFFFAOYSA-N
XLogP4.73
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.36
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-[3-(1,1,1-trifluoropropan-2-yloxymethyl)phenyl]pyrazol-3-amine?
The IUPAC name of 1-(4-fluorophenyl)-5-[3-(1,1,1-trifluoropropan-2-yloxymethyl)phenyl]pyrazol-3-amine (CID 89465816) is 1-(4-fluorophenyl)-5-[3-(1,1,1-trifluoropropan-2-yloxymethyl)phenyl]pyrazol-3-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-5-[3-(1,1,1-trifluoropropan-2-yloxymethyl)phenyl]pyrazol-3-amine?
The canonical SMILES for 1-(4-fluorophenyl)-5-[3-(1,1,1-trifluoropropan-2-yloxymethyl)phenyl]pyrazol-3-amine is CC(OCc1cccc(-c2cc(N)nn2-c2ccc(F)cc2)c1)C(F)(F)F.
What is the InChIKey of 1-(4-fluorophenyl)-5-[3-(1,1,1-trifluoropropan-2-yloxymethyl)phenyl]pyrazol-3-amine?
The InChIKey is HYTGBEIGNFJVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F4N3O/c1-12(19(21,22)23)27-11-13-3-2-4-14(9-13)17-10-18(24)25-26(17)16-7-5-15(20)6-8-16/h2-10,12H,11H2,1H3,(H2,24,25).
What are the key properties of 1-(4-fluorophenyl)-5-[3-(1,1,1-trifluoropropan-2-yloxymethyl)phenyl]pyrazol-3-amine?
1-(4-fluorophenyl)-5-[3-(1,1,1-trifluoropropan-2-yloxymethyl)phenyl]pyrazol-3-amine has a molecular weight of 379.36 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-[3-(1,1,1-trifluoropropan-2-yloxymethyl)phenyl]pyrazol-3-amine is sourced from PubChem (CID 89465816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).