1-(2-methylpropyl)-3-[3-(trifluoromethyl)phenyl]pyrazol-4-amine

C14H16F3N3 — CID 83216484

IUPAC1-(2-methylpropyl)-3-[3-(trifluoromethyl)phenyl]pyrazol-4-amine
SMILESCC(C)Cn1cc(N)c(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C14H16F3N3/c1-9(2)7-20-8-12(18)13(19-20)10-4-3-5-11(6-10)14(15,16)17/h3-6,8-9H,7,18H2,1-2H3
InChIKeyFIYYKJVNZNHKOW-UHFFFAOYSA-N
MW283.30 g/mol
LogP3.81
Rot. Bonds3

About 1-(2-methylpropyl)-3-[3-(trifluoromethyl)phenyl]pyrazol-4-amine

1-(2-methylpropyl)-3-[3-(trifluoromethyl)phenyl]pyrazol-4-amine (PubChem CID 83216484) has the molecular formula C14H16F3N3 and a molecular weight of 283.30 g/mol. Its IUPAC name is 1-(2-methylpropyl)-3-[3-(trifluoromethyl)phenyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-(2-methylpropyl)-3-[3-(trifluoromethyl)phenyl]pyrazol-4-amine
PubChem CID83216484
Molecular FormulaC14H16F3N3
Molecular Weight283.30 g/mol
Exact Mass283.13
IUPAC Name1-(2-methylpropyl)-3-[3-(trifluoromethyl)phenyl]pyrazol-4-amine
SMILESCC(C)Cn1cc(N)c(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C14H16F3N3/c1-9(2)7-20-8-12(18)13(19-20)10-4-3-5-11(6-10)14(15,16)17/h3-6,8-9H,7,18H2,1-2H3
InChIKeyFIYYKJVNZNHKOW-UHFFFAOYSA-N
XLogP3.81
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylpropyl)-3-[3-(trifluoromethyl)phenyl]pyrazole-4-carbaldehyde
CID 43328598
1-ethyl-3-(3-methylphenyl)pyrazol-4-amine
CID 83216683
3-(3-fluorophenyl)-1-propylpyrazol-4-amine
CID 83223075
5-[3-(trifluoromethyl)phenyl]pyridazin-4-amine
CID 117127400
5-amino-1-methyl-3-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile
CID 22309905
1-propan-2-yl-3-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid
CID 61264904
2-ethyl-3-propyl-5-[3-(trifluoromethyl)phenyl]imidazol-4-amine
CID 62226776
6-fluoro-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-amine
CID 63617966
2-[1-methyl-4-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetic acid
CID 105423982
1-methyl-3-propan-2-yl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one
CID 12879322
1-pentyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-amine
CID 162673974
2-chloro-5-[3-(trifluoromethyl)phenyl]aniline
CID 62909928

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-3-[3-(trifluoromethyl)phenyl]pyrazol-4-amine?
The IUPAC name of 1-(2-methylpropyl)-3-[3-(trifluoromethyl)phenyl]pyrazol-4-amine (CID 83216484) is 1-(2-methylpropyl)-3-[3-(trifluoromethyl)phenyl]pyrazol-4-amine.
What is the SMILES notation for 1-(2-methylpropyl)-3-[3-(trifluoromethyl)phenyl]pyrazol-4-amine?
The canonical SMILES for 1-(2-methylpropyl)-3-[3-(trifluoromethyl)phenyl]pyrazol-4-amine is CC(C)Cn1cc(N)c(-c2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 1-(2-methylpropyl)-3-[3-(trifluoromethyl)phenyl]pyrazol-4-amine?
The InChIKey is FIYYKJVNZNHKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3/c1-9(2)7-20-8-12(18)13(19-20)10-4-3-5-11(6-10)14(15,16)17/h3-6,8-9H,7,18H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)-3-[3-(trifluoromethyl)phenyl]pyrazol-4-amine?
1-(2-methylpropyl)-3-[3-(trifluoromethyl)phenyl]pyrazol-4-amine has a molecular weight of 283.30 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-3-[3-(trifluoromethyl)phenyl]pyrazol-4-amine is sourced from PubChem (CID 83216484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).