3,5-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]-1H-pyrazol-4-amine

C14H16F3N3 — CID 43547335

IUPAC3,5-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]-1H-pyrazol-4-amine
SMILESCc1n[nH]c(C)c1NC(C)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H16F3N3/c1-8(18-13-9(2)19-20-10(13)3)11-6-4-5-7-12(11)14(15,16)17/h4-8,18H,1-3H3,(H,19,20)
InChIKeyBHMHWCYYEVULHA-UHFFFAOYSA-N
MW283.30 g/mol
LogP4.22
Rot. Bonds3

About 3,5-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]-1H-pyrazol-4-amine

3,5-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]-1H-pyrazol-4-amine (PubChem CID 43547335) has the molecular formula C14H16F3N3 and a molecular weight of 283.30 g/mol. Its IUPAC name is 3,5-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]-1H-pyrazol-4-amine.

Molecular Properties

Compound Name3,5-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]-1H-pyrazol-4-amine
PubChem CID43547335
Molecular FormulaC14H16F3N3
Molecular Weight283.30 g/mol
Exact Mass283.13
IUPAC Name3,5-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]-1H-pyrazol-4-amine
SMILESCc1n[nH]c(C)c1NC(C)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H16F3N3/c1-8(18-13-9(2)19-20-10(13)3)11-6-4-5-7-12(11)14(15,16)17/h4-8,18H,1-3H3,(H,19,20)
InChIKeyBHMHWCYYEVULHA-UHFFFAOYSA-N
XLogP4.22
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]-1H-pyrazol-4-amine?
The IUPAC name of 3,5-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]-1H-pyrazol-4-amine (CID 43547335) is 3,5-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]-1H-pyrazol-4-amine.
What is the SMILES notation for 3,5-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]-1H-pyrazol-4-amine?
The canonical SMILES for 3,5-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]-1H-pyrazol-4-amine is Cc1n[nH]c(C)c1NC(C)c1ccccc1C(F)(F)F.
What is the InChIKey of 3,5-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]-1H-pyrazol-4-amine?
The InChIKey is BHMHWCYYEVULHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3/c1-8(18-13-9(2)19-20-10(13)3)11-6-4-5-7-12(11)14(15,16)17/h4-8,18H,1-3H3,(H,19,20).
What are the key properties of 3,5-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]-1H-pyrazol-4-amine?
3,5-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]-1H-pyrazol-4-amine has a molecular weight of 283.30 g/mol, XLogP of 4.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]-1H-pyrazol-4-amine is sourced from PubChem (CID 43547335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).