1-methyl-5-phenyl-3-(trifluoromethyl)pyrazol-4-amine;hydrochloride

C11H11ClF3N3 — CID 162663334

IUPAC1-methyl-5-phenyl-3-(trifluoromethyl)pyrazol-4-amine;hydrochloride
SMILESCl.Cn1nc(C(F)(F)F)c(N)c1-c1ccccc1
InChIInChI=1S/C11H10F3N3.ClH/c1-17-9(7-5-3-2-4-6-7)8(15)10(16-17)11(12,13)14;/h2-6H,15H2,1H3;1H
InChIKeyMBZHIFVSXWCFSF-UHFFFAOYSA-N
MW277.68 g/mol
LogP3.11
Rot. Bonds1

About 1-methyl-5-phenyl-3-(trifluoromethyl)pyrazol-4-amine;hydrochloride

1-methyl-5-phenyl-3-(trifluoromethyl)pyrazol-4-amine;hydrochloride (PubChem CID 162663334) has the molecular formula C11H11ClF3N3 and a molecular weight of 277.68 g/mol. Its IUPAC name is 1-methyl-5-phenyl-3-(trifluoromethyl)pyrazol-4-amine;hydrochloride.

Molecular Properties

Compound Name1-methyl-5-phenyl-3-(trifluoromethyl)pyrazol-4-amine;hydrochloride
PubChem CID162663334
Molecular FormulaC11H11ClF3N3
Molecular Weight277.68 g/mol
Exact Mass277.06
IUPAC Name1-methyl-5-phenyl-3-(trifluoromethyl)pyrazol-4-amine;hydrochloride
SMILESCl.Cn1nc(C(F)(F)F)c(N)c1-c1ccccc1
InChIInChI=1S/C11H10F3N3.ClH/c1-17-9(7-5-3-2-4-6-7)8(15)10(16-17)11(12,13)14;/h2-6H,15H2,1H3;1H
InChIKeyMBZHIFVSXWCFSF-UHFFFAOYSA-N
XLogP3.11
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.68
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-Dimethyl-1-(phenylmethyl)-1H-pyrazol-4-amine
CID 206697
(1-methyl-1H-pyrazol-5-yl)(phenyl)methanamine
CID 43817898
1-Methyl-4-phenyl-3-(trifluoromethyl)-1H-pyrazol-5-amine
CID 2740916
(1S,3R)-N-((5-(3,5-difluorophenyl)-1,4-dimethyl-1H-pyrazol-3-yl)methyl)-3-fluorocyclopentanamine
CID 45273537
1-((4-Fluorophenyl)methyl)-3,5-dimethyl-1H-pyrazol-4-amine
CID 573307
1-(4-Chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-amine
CID 580838
3,5-dimethyl-1-(2-phenylethyl)-1H-pyrazole
CID 573288
4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]aniline
CID 4307928
(1S,3R)-N-((5-(3,4-difluorophenyl)-1,4-dimethyl-1H-pyrazol-3-yl)methyl)-3-fluorocyclopentanamine
CID 45270082
(1S,3R)-N-((1,4-dimethyl-5-(3,4,5-trifluorophenyl)-1H-pyrazol-3-yl)methyl)-3-fluorocyclopentanamine
CID 45270917
1-(2-Chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-amine
CID 608335
N-[3,5-dimethyl-1-(2-methylbenzyl)-1H-pyrazol-4-yl]-2,2,2-trifluoroacetamide
CID 4449954

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-phenyl-3-(trifluoromethyl)pyrazol-4-amine;hydrochloride?
The IUPAC name of 1-methyl-5-phenyl-3-(trifluoromethyl)pyrazol-4-amine;hydrochloride (CID 162663334) is 1-methyl-5-phenyl-3-(trifluoromethyl)pyrazol-4-amine;hydrochloride.
What is the SMILES notation for 1-methyl-5-phenyl-3-(trifluoromethyl)pyrazol-4-amine;hydrochloride?
The canonical SMILES for 1-methyl-5-phenyl-3-(trifluoromethyl)pyrazol-4-amine;hydrochloride is Cl.Cn1nc(C(F)(F)F)c(N)c1-c1ccccc1.
What is the InChIKey of 1-methyl-5-phenyl-3-(trifluoromethyl)pyrazol-4-amine;hydrochloride?
The InChIKey is MBZHIFVSXWCFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3.ClH/c1-17-9(7-5-3-2-4-6-7)8(15)10(16-17)11(12,13)14;/h2-6H,15H2,1H3;1H.
What are the key properties of 1-methyl-5-phenyl-3-(trifluoromethyl)pyrazol-4-amine;hydrochloride?
1-methyl-5-phenyl-3-(trifluoromethyl)pyrazol-4-amine;hydrochloride has a molecular weight of 277.68 g/mol, XLogP of 3.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-phenyl-3-(trifluoromethyl)pyrazol-4-amine;hydrochloride is sourced from PubChem (CID 162663334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).