N-tert-butyl-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine

C14H16F3N3 — CID 63049199

IUPACN-tert-butyl-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine
SMILESCC(C)(C)Nc1cc(-c2ccc(C(F)(F)F)cc2)[nH]n1
InChIInChI=1S/C14H16F3N3/c1-13(2,3)18-12-8-11(19-20-12)9-4-6-10(7-5-9)14(15,16)17/h4-8H,1-3H3,(H2,18,19,20)
InChIKeyAELLLKFWNMYTTQ-UHFFFAOYSA-N
MW283.30 g/mol
LogP4.31
Rot. Bonds2

About N-tert-butyl-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine

N-tert-butyl-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine (PubChem CID 63049199) has the molecular formula C14H16F3N3 and a molecular weight of 283.30 g/mol. Its IUPAC name is N-tert-butyl-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine.

Molecular Properties

Compound NameN-tert-butyl-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine
PubChem CID63049199
Molecular FormulaC14H16F3N3
Molecular Weight283.30 g/mol
Exact Mass283.13
IUPAC NameN-tert-butyl-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine
SMILESCC(C)(C)Nc1cc(-c2ccc(C(F)(F)F)cc2)[nH]n1
InChIInChI=1S/C14H16F3N3/c1-13(2,3)18-12-8-11(19-20-12)9-4-6-10(7-5-9)14(15,16)17/h4-8H,1-3H3,(H2,18,19,20)
InChIKeyAELLLKFWNMYTTQ-UHFFFAOYSA-N
XLogP4.31
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine?
The IUPAC name of N-tert-butyl-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine (CID 63049199) is N-tert-butyl-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine.
What is the SMILES notation for N-tert-butyl-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine?
The canonical SMILES for N-tert-butyl-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine is CC(C)(C)Nc1cc(-c2ccc(C(F)(F)F)cc2)[nH]n1.
What is the InChIKey of N-tert-butyl-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine?
The InChIKey is AELLLKFWNMYTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3/c1-13(2,3)18-12-8-11(19-20-12)9-4-6-10(7-5-9)14(15,16)17/h4-8H,1-3H3,(H2,18,19,20).
What are the key properties of N-tert-butyl-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine?
N-tert-butyl-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine has a molecular weight of 283.30 g/mol, XLogP of 4.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine is sourced from PubChem (CID 63049199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).