4,5-dimethyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine

C12H12F3N3 — CID 10800984

IUPAC4,5-dimethyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine
SMILESCc1[nH]nc(Nc2ccc(C(F)(F)F)cc2)c1C
InChIInChI=1S/C12H12F3N3/c1-7-8(2)17-18-11(7)16-10-5-3-9(4-6-10)12(13,14)15/h3-6H,1-2H3,(H2,16,17,18)
InChIKeyHPOJIYZGBCOBTO-UHFFFAOYSA-N
MW255.24 g/mol
LogP3.79
Rot. Bonds2

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

4,5-dimethyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine (PubChem CID 10800984) has the molecular formula C12H12F3N3 and a molecular weight of 255.24 g/mol. Its IUPAC name is 4,5-dimethyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4,5-dimethyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine
PubChem CID10800984
Molecular FormulaC12H12F3N3
Molecular Weight255.24 g/mol
Exact Mass255.10
IUPAC Name4,5-dimethyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine
SMILESCc1[nH]nc(Nc2ccc(C(F)(F)F)cc2)c1C
InChIInChI=1S/C12H12F3N3/c1-7-8(2)17-18-11(7)16-10-5-3-9(4-6-10)12(13,14)15/h3-6H,1-2H3,(H2,16,17,18)
InChIKeyHPOJIYZGBCOBTO-UHFFFAOYSA-N
XLogP3.79
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine?
The IUPAC name of 4,5-dimethyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine (CID 10800984) is 4,5-dimethyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine.
What is the SMILES notation for 4,5-dimethyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine?
The canonical SMILES for 4,5-dimethyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine is Cc1[nH]nc(Nc2ccc(C(F)(F)F)cc2)c1C.
What is the InChIKey of 4,5-dimethyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine?
The InChIKey is HPOJIYZGBCOBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3/c1-7-8(2)17-18-11(7)16-10-5-3-9(4-6-10)12(13,14)15/h3-6H,1-2H3,(H2,16,17,18).
What are the key properties of 4,5-dimethyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine?
4,5-dimethyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine has a molecular weight of 255.24 g/mol, XLogP of 3.79, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine is sourced from PubChem (CID 10800984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).