[1-(3,4-dimethylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanamine

C13H14F3N3 — CID 82527606

IUPAC[1-(3,4-dimethylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanamine
SMILESCc1ccc(-n2ncc(CN)c2C(F)(F)F)cc1C
InChIInChI=1S/C13H14F3N3/c1-8-3-4-11(5-9(8)2)19-12(13(14,15)16)10(6-17)7-18-19/h3-5,7H,6,17H2,1-2H3
InChIKeyDPRIVMBUVAYQTD-UHFFFAOYSA-N
MW269.27 g/mol
LogP2.97
Rot. Bonds2

About [1-(3,4-dimethylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanamine

[1-(3,4-dimethylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanamine (PubChem CID 82527606) has the molecular formula C13H14F3N3 and a molecular weight of 269.27 g/mol. Its IUPAC name is [1-(3,4-dimethylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(3,4-dimethylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanamine
PubChem CID82527606
Molecular FormulaC13H14F3N3
Molecular Weight269.27 g/mol
Exact Mass269.11
IUPAC Name[1-(3,4-dimethylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanamine
SMILESCc1ccc(-n2ncc(CN)c2C(F)(F)F)cc1C
InChIInChI=1S/C13H14F3N3/c1-8-3-4-11(5-9(8)2)19-12(13(14,15)16)10(6-17)7-18-19/h3-5,7H,6,17H2,1-2H3
InChIKeyDPRIVMBUVAYQTD-UHFFFAOYSA-N
XLogP2.97
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3,4-dimethylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanethiol
CID 82527607
1-[1-(3,4-dimethylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]ethanamine
CID 82527601
[1-(3-bromophenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanamine
CID 66440508
[1-(2-methoxyphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanamine
CID 66440778
[1-(3,4-dimethylphenyl)-5-methylpyrazol-4-yl]methanethiol
CID 82528469
4-(chloromethyl)-1-(3-methylphenyl)-5-(trifluoromethyl)pyrazole
CID 66436395
2-[1-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]acetic acid
CID 82527752
N-[[1-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methyl]propan-1-amine
CID 66442458
[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]methanamine
CID 66440321
4-(chloromethyl)-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole
CID 66438359
N-[[1-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 66441057
4-ethyl-1-(4-ethynylphenyl)-5-(trifluoromethyl)pyrazole
CID 153436157

Frequently Asked Questions

What is the IUPAC name of [1-(3,4-dimethylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanamine?
The IUPAC name of [1-(3,4-dimethylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanamine (CID 82527606) is [1-(3,4-dimethylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanamine.
What is the SMILES notation for [1-(3,4-dimethylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanamine?
The canonical SMILES for [1-(3,4-dimethylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanamine is Cc1ccc(-n2ncc(CN)c2C(F)(F)F)cc1C.
What is the InChIKey of [1-(3,4-dimethylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanamine?
The InChIKey is DPRIVMBUVAYQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3/c1-8-3-4-11(5-9(8)2)19-12(13(14,15)16)10(6-17)7-18-19/h3-5,7H,6,17H2,1-2H3.
What are the key properties of [1-(3,4-dimethylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanamine?
[1-(3,4-dimethylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanamine has a molecular weight of 269.27 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-dimethylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanamine is sourced from PubChem (CID 82527606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).