1-methyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-4-amine;hydrochloride

C9H9ClF3N3S — CID 162644500

IUPAC1-methyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-4-amine;hydrochloride
SMILESCl.Cn1nc(C(F)(F)F)c(N)c1-c1cccs1
InChIInChI=1S/C9H8F3N3S.ClH/c1-15-7(5-3-2-4-16-5)6(13)8(14-15)9(10,11)12;/h2-4H,13H2,1H3;1H
InChIKeyJCOBKZZORWAXAT-UHFFFAOYSA-N
MW283.71 g/mol
LogP3.17
Rot. Bonds1

About 1-methyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-4-amine;hydrochloride

1-methyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-4-amine;hydrochloride (PubChem CID 162644500) has the molecular formula C9H9ClF3N3S and a molecular weight of 283.71 g/mol. Its IUPAC name is 1-methyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-4-amine;hydrochloride.

Molecular Properties

Compound Name1-methyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-4-amine;hydrochloride
PubChem CID162644500
Molecular FormulaC9H9ClF3N3S
Molecular Weight283.71 g/mol
Exact Mass283.02
IUPAC Name1-methyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-4-amine;hydrochloride
SMILESCl.Cn1nc(C(F)(F)F)c(N)c1-c1cccs1
InChIInChI=1S/C9H8F3N3S.ClH/c1-15-7(5-3-2-4-16-5)6(13)8(14-15)9(10,11)12;/h2-4H,13H2,1H3;1H
InChIKeyJCOBKZZORWAXAT-UHFFFAOYSA-N
XLogP3.17
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.71
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-4-amine;hydrochloride?
The IUPAC name of 1-methyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-4-amine;hydrochloride (CID 162644500) is 1-methyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-4-amine;hydrochloride.
What is the SMILES notation for 1-methyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-4-amine;hydrochloride?
The canonical SMILES for 1-methyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-4-amine;hydrochloride is Cl.Cn1nc(C(F)(F)F)c(N)c1-c1cccs1.
What is the InChIKey of 1-methyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-4-amine;hydrochloride?
The InChIKey is JCOBKZZORWAXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N3S.ClH/c1-15-7(5-3-2-4-16-5)6(13)8(14-15)9(10,11)12;/h2-4H,13H2,1H3;1H.
What are the key properties of 1-methyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-4-amine;hydrochloride?
1-methyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-4-amine;hydrochloride has a molecular weight of 283.71 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-4-amine;hydrochloride is sourced from PubChem (CID 162644500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).