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

C13H14F3N3 — CID 43547425

IUPAC3,5-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-4-amine
SMILESCc1n[nH]c(C)c1NCc1ccccc1C(F)(F)F
InChIInChI=1S/C13H14F3N3/c1-8-12(9(2)19-18-8)17-7-10-5-3-4-6-11(10)13(14,15)16/h3-6,17H,7H2,1-2H3,(H,18,19)
InChIKeyJSVDPEBJMVLWSP-UHFFFAOYSA-N
MW269.27 g/mol
LogP3.66
Rot. Bonds3

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

3,5-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-4-amine (PubChem CID 43547425) has the molecular formula C13H14F3N3 and a molecular weight of 269.27 g/mol. Its IUPAC name is 3,5-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-4-amine.

Molecular Properties

Compound Name3,5-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-4-amine
PubChem CID43547425
Molecular FormulaC13H14F3N3
Molecular Weight269.27 g/mol
Exact Mass269.11
IUPAC Name3,5-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-4-amine
SMILESCc1n[nH]c(C)c1NCc1ccccc1C(F)(F)F
InChIInChI=1S/C13H14F3N3/c1-8-12(9(2)19-18-8)17-7-10-5-3-4-6-11(10)13(14,15)16/h3-6,17H,7H2,1-2H3,(H,18,19)
InChIKeyJSVDPEBJMVLWSP-UHFFFAOYSA-N
XLogP3.66
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine
CID 43547239
N-[(2-ethylphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine
CID 55066721
N-[(2-bromophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine
CID 43547216
3,5-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]-1H-pyrazol-4-amine
CID 43547335
N-[(2-ethoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine
CID 43547421
2-chloro-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-6-(trifluoromethyl)aniline
CID 43645020
N-[[2-(trifluoromethyl)phenyl]methyl]-2H-tetrazol-5-amine
CID 4726734
3-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazole-3,5-diamine
CID 66274945
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(trifluoromethyl)benzamide
CID 43546989
N-[(3-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine
CID 43547419
2-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-4-methylphenol
CID 63326681
2-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-6-ethoxyphenol
CID 43547329

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-4-amine?
The IUPAC name of 3,5-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-4-amine (CID 43547425) is 3,5-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-4-amine.
What is the SMILES notation for 3,5-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-4-amine?
The canonical SMILES for 3,5-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-4-amine is Cc1n[nH]c(C)c1NCc1ccccc1C(F)(F)F.
What is the InChIKey of 3,5-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-4-amine?
The InChIKey is JSVDPEBJMVLWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3/c1-8-12(9(2)19-18-8)17-7-10-5-3-4-6-11(10)13(14,15)16/h3-6,17H,7H2,1-2H3,(H,18,19).
What are the key properties of 3,5-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-4-amine?
3,5-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-4-amine has a molecular weight of 269.27 g/mol, XLogP of 3.66, 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-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-4-amine is sourced from PubChem (CID 43547425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).