3-methoxy-1-(2,2,2-trifluoroethyl)pyrazol-4-amine;hydrochloride

C6H9ClF3N3O — CID 75530203

IUPAC3-methoxy-1-(2,2,2-trifluoroethyl)pyrazol-4-amine;hydrochloride
SMILESCOc1nn(CC(F)(F)F)cc1N.Cl
InChIInChI=1S/C6H8F3N3O.ClH/c1-13-5-4(10)2-12(11-5)3-6(7,8)9;/h2H,3,10H2,1H3;1H
InChIKeyYEDOORFGTFJZSL-UHFFFAOYSA-N
MW231.60 g/mol
LogP1.46
Rot. Bonds2

About 3-methoxy-1-(2,2,2-trifluoroethyl)pyrazol-4-amine;hydrochloride

3-methoxy-1-(2,2,2-trifluoroethyl)pyrazol-4-amine;hydrochloride (PubChem CID 75530203) has the molecular formula C6H9ClF3N3O and a molecular weight of 231.60 g/mol. Its IUPAC name is 3-methoxy-1-(2,2,2-trifluoroethyl)pyrazol-4-amine;hydrochloride.

Molecular Properties

Compound Name3-methoxy-1-(2,2,2-trifluoroethyl)pyrazol-4-amine;hydrochloride
PubChem CID75530203
Molecular FormulaC6H9ClF3N3O
Molecular Weight231.60 g/mol
Exact Mass231.04
IUPAC Name3-methoxy-1-(2,2,2-trifluoroethyl)pyrazol-4-amine;hydrochloride
SMILESCOc1nn(CC(F)(F)F)cc1N.Cl
InChIInChI=1S/C6H8F3N3O.ClH/c1-13-5-4(10)2-12(11-5)3-6(7,8)9;/h2H,3,10H2,1H3;1H
InChIKeyYEDOORFGTFJZSL-UHFFFAOYSA-N
XLogP1.46
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.60
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-(2,2,2-trifluoroethyl)pyrazol-4-amine;hydrochloride?
The IUPAC name of 3-methoxy-1-(2,2,2-trifluoroethyl)pyrazol-4-amine;hydrochloride (CID 75530203) is 3-methoxy-1-(2,2,2-trifluoroethyl)pyrazol-4-amine;hydrochloride.
What is the SMILES notation for 3-methoxy-1-(2,2,2-trifluoroethyl)pyrazol-4-amine;hydrochloride?
The canonical SMILES for 3-methoxy-1-(2,2,2-trifluoroethyl)pyrazol-4-amine;hydrochloride is COc1nn(CC(F)(F)F)cc1N.Cl.
What is the InChIKey of 3-methoxy-1-(2,2,2-trifluoroethyl)pyrazol-4-amine;hydrochloride?
The InChIKey is YEDOORFGTFJZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3O.ClH/c1-13-5-4(10)2-12(11-5)3-6(7,8)9;/h2H,3,10H2,1H3;1H.
What are the key properties of 3-methoxy-1-(2,2,2-trifluoroethyl)pyrazol-4-amine;hydrochloride?
3-methoxy-1-(2,2,2-trifluoroethyl)pyrazol-4-amine;hydrochloride has a molecular weight of 231.60 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-(2,2,2-trifluoroethyl)pyrazol-4-amine;hydrochloride is sourced from PubChem (CID 75530203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).