1-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)pyrazol-4-amine

C8H8F3N5 — CID 176658736

IUPAC1-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)pyrazol-4-amine
SMILESCn1ccc(-n2ncc(N)c2C(F)(F)F)n1
InChIInChI=1S/C8H8F3N5/c1-15-3-2-6(14-15)16-7(8(9,10)11)5(12)4-13-16/h2-4H,12H2,1H3
InChIKeyOJWXBUKITQJSHO-UHFFFAOYSA-N
MW231.18 g/mol
LogP1.21
Rot. Bonds1

About 1-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)pyrazol-4-amine

1-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)pyrazol-4-amine (PubChem CID 176658736) has the molecular formula C8H8F3N5 and a molecular weight of 231.18 g/mol. Its IUPAC name is 1-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)pyrazol-4-amine
PubChem CID176658736
Molecular FormulaC8H8F3N5
Molecular Weight231.18 g/mol
Exact Mass231.07
IUPAC Name1-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)pyrazol-4-amine
SMILESCn1ccc(-n2ncc(N)c2C(F)(F)F)n1
InChIInChI=1S/C8H8F3N5/c1-15-3-2-6(14-15)16-7(8(9,10)11)5(12)4-13-16/h2-4H,12H2,1H3
InChIKeyOJWXBUKITQJSHO-UHFFFAOYSA-N
XLogP1.21
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.18
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-Methyl-2'h-[1,3']bipyrazolyl
CID 12560594
5-Amino-4-cyano-1-(1-methyl-5-trifluoromethyl-3-pyrazolyl)pyrazole
CID 22912793
5-Methyl-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyrazole-4-carbothioamide
CID 54026480
3-pyrazol-1-yl-5-(trifluoromethyl)-1H-pyrazole
CID 57596563
[1-(4-Fluoro-1,5-dimethylpyrazol-3-yl)pyrazol-3-yl]methanamine
CID 70851823
4-Chloro-1,5-dimethyl-3-[3-(trifluoromethyl)pyrazol-1-yl]pyrazole
CID 70967674
4-Fluoro-1,5-dimethyl-3-pyrazol-1-ylpyrazole
CID 89032514
4-Fluoro-1,5-dimethyl-3-(3-methylpyrazol-1-yl)pyrazole
CID 89032531
[1-(4-fluoro-5-methyl-1H-pyrazol-3-yl)pyrazol-3-yl]methanamine
CID 89147296
4-chloro-5-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyrazole
CID 117670063
4-Fluoro-1,3-dimethyl-5-pyrazol-1-ylpyrazole
CID 117670105
4-Fluoro-1,3-dimethyl-5-(3-methylpyrazol-1-yl)pyrazole
CID 117670131

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)pyrazol-4-amine?
The IUPAC name of 1-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)pyrazol-4-amine (CID 176658736) is 1-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)pyrazol-4-amine.
What is the SMILES notation for 1-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)pyrazol-4-amine?
The canonical SMILES for 1-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)pyrazol-4-amine is Cn1ccc(-n2ncc(N)c2C(F)(F)F)n1.
What is the InChIKey of 1-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)pyrazol-4-amine?
The InChIKey is OJWXBUKITQJSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N5/c1-15-3-2-6(14-15)16-7(8(9,10)11)5(12)4-13-16/h2-4H,12H2,1H3.
What are the key properties of 1-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)pyrazol-4-amine?
1-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)pyrazol-4-amine has a molecular weight of 231.18 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)pyrazol-4-amine is sourced from PubChem (CID 176658736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).