1-methyl-3-(trifluoromethoxy)pyrazol-5-amine;hydrochloride

C5H7ClF3N3O — CID 146278948

IUPAC1-methyl-3-(trifluoromethoxy)pyrazol-5-amine;hydrochloride
SMILESCl.Cn1nc(OC(F)(F)F)cc1N
InChIInChI=1S/C5H6F3N3O.ClH/c1-11-3(9)2-4(10-11)12-5(6,7)8;/h2H,9H2,1H3;1H
InChIKeyYUFLEVRNPDWFKR-UHFFFAOYSA-N
MW217.58 g/mol
LogP1.32
Rot. Bonds1

About 1-methyl-3-(trifluoromethoxy)pyrazol-5-amine;hydrochloride

1-methyl-3-(trifluoromethoxy)pyrazol-5-amine;hydrochloride (PubChem CID 146278948) has the molecular formula C5H7ClF3N3O and a molecular weight of 217.58 g/mol. Its IUPAC name is 1-methyl-3-(trifluoromethoxy)pyrazol-5-amine;hydrochloride.

Molecular Properties

Compound Name1-methyl-3-(trifluoromethoxy)pyrazol-5-amine;hydrochloride
PubChem CID146278948
Molecular FormulaC5H7ClF3N3O
Molecular Weight217.58 g/mol
Exact Mass217.02
IUPAC Name1-methyl-3-(trifluoromethoxy)pyrazol-5-amine;hydrochloride
SMILESCl.Cn1nc(OC(F)(F)F)cc1N
InChIInChI=1S/C5H6F3N3O.ClH/c1-11-3(9)2-4(10-11)12-5(6,7)8;/h2H,9H2,1H3;1H
InChIKeyYUFLEVRNPDWFKR-UHFFFAOYSA-N
XLogP1.32
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.58
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(trifluoromethoxy)pyrazol-5-amine;hydrochloride?
The IUPAC name of 1-methyl-3-(trifluoromethoxy)pyrazol-5-amine;hydrochloride (CID 146278948) is 1-methyl-3-(trifluoromethoxy)pyrazol-5-amine;hydrochloride.
What is the SMILES notation for 1-methyl-3-(trifluoromethoxy)pyrazol-5-amine;hydrochloride?
The canonical SMILES for 1-methyl-3-(trifluoromethoxy)pyrazol-5-amine;hydrochloride is Cl.Cn1nc(OC(F)(F)F)cc1N.
What is the InChIKey of 1-methyl-3-(trifluoromethoxy)pyrazol-5-amine;hydrochloride?
The InChIKey is YUFLEVRNPDWFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3N3O.ClH/c1-11-3(9)2-4(10-11)12-5(6,7)8;/h2H,9H2,1H3;1H.
What are the key properties of 1-methyl-3-(trifluoromethoxy)pyrazol-5-amine;hydrochloride?
1-methyl-3-(trifluoromethoxy)pyrazol-5-amine;hydrochloride has a molecular weight of 217.58 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(trifluoromethoxy)pyrazol-5-amine;hydrochloride is sourced from PubChem (CID 146278948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).