1-methyl-3-propan-2-yl-5-[4-(trifluoromethyl)phenoxy]pyrazol-4-amine

C14H16F3N3O — CID 66012555

IUPAC1-methyl-3-propan-2-yl-5-[4-(trifluoromethyl)phenoxy]pyrazol-4-amine
SMILESCC(C)c1nn(C)c(Oc2ccc(C(F)(F)F)cc2)c1N
InChIInChI=1S/C14H16F3N3O/c1-8(2)12-11(18)13(20(3)19-12)21-10-6-4-9(5-7-10)14(15,16)17/h4-8H,18H2,1-3H3
InChIKeyRIYDALGZFFTARI-UHFFFAOYSA-N
MW299.30 g/mol
LogP3.94
Rot. Bonds3

About 1-methyl-3-propan-2-yl-5-[4-(trifluoromethyl)phenoxy]pyrazol-4-amine

1-methyl-3-propan-2-yl-5-[4-(trifluoromethyl)phenoxy]pyrazol-4-amine (PubChem CID 66012555) has the molecular formula C14H16F3N3O and a molecular weight of 299.30 g/mol. Its IUPAC name is 1-methyl-3-propan-2-yl-5-[4-(trifluoromethyl)phenoxy]pyrazol-4-amine.

Molecular Properties

Compound Name1-methyl-3-propan-2-yl-5-[4-(trifluoromethyl)phenoxy]pyrazol-4-amine
PubChem CID66012555
Molecular FormulaC14H16F3N3O
Molecular Weight299.30 g/mol
Exact Mass299.12
IUPAC Name1-methyl-3-propan-2-yl-5-[4-(trifluoromethyl)phenoxy]pyrazol-4-amine
SMILESCC(C)c1nn(C)c(Oc2ccc(C(F)(F)F)cc2)c1N
InChIInChI=1S/C14H16F3N3O/c1-8(2)12-11(18)13(20(3)19-12)21-10-6-4-9(5-7-10)14(15,16)17/h4-8H,18H2,1-3H3
InChIKeyRIYDALGZFFTARI-UHFFFAOYSA-N
XLogP3.94
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propan-2-yl-5-[4-(trifluoromethyl)phenoxy]pyrazol-4-amine?
The IUPAC name of 1-methyl-3-propan-2-yl-5-[4-(trifluoromethyl)phenoxy]pyrazol-4-amine (CID 66012555) is 1-methyl-3-propan-2-yl-5-[4-(trifluoromethyl)phenoxy]pyrazol-4-amine.
What is the SMILES notation for 1-methyl-3-propan-2-yl-5-[4-(trifluoromethyl)phenoxy]pyrazol-4-amine?
The canonical SMILES for 1-methyl-3-propan-2-yl-5-[4-(trifluoromethyl)phenoxy]pyrazol-4-amine is CC(C)c1nn(C)c(Oc2ccc(C(F)(F)F)cc2)c1N.
What is the InChIKey of 1-methyl-3-propan-2-yl-5-[4-(trifluoromethyl)phenoxy]pyrazol-4-amine?
The InChIKey is RIYDALGZFFTARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O/c1-8(2)12-11(18)13(20(3)19-12)21-10-6-4-9(5-7-10)14(15,16)17/h4-8H,18H2,1-3H3.
What are the key properties of 1-methyl-3-propan-2-yl-5-[4-(trifluoromethyl)phenoxy]pyrazol-4-amine?
1-methyl-3-propan-2-yl-5-[4-(trifluoromethyl)phenoxy]pyrazol-4-amine has a molecular weight of 299.30 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propan-2-yl-5-[4-(trifluoromethyl)phenoxy]pyrazol-4-amine is sourced from PubChem (CID 66012555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).