methyl 4-amino-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxylate;hydrochloride

C7H9ClF3N3O2 — CID 146155798

IUPACmethyl 4-amino-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxylate;hydrochloride
SMILESCOC(=O)c1nn(CC(F)(F)F)cc1N.Cl
InChIInChI=1S/C7H8F3N3O2.ClH/c1-15-6(14)5-4(11)2-13(12-5)3-7(8,9)10;/h2H,3,11H2,1H3;1H
InChIKeyUXJABDWYRKTYJK-UHFFFAOYSA-N
MW259.62 g/mol
LogP1.24
Rot. Bonds2

About methyl 4-amino-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxylate;hydrochloride

methyl 4-amino-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxylate;hydrochloride (PubChem CID 146155798) has the molecular formula C7H9ClF3N3O2 and a molecular weight of 259.62 g/mol. Its IUPAC name is methyl 4-amino-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 4-amino-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxylate;hydrochloride
PubChem CID146155798
Molecular FormulaC7H9ClF3N3O2
Molecular Weight259.62 g/mol
Exact Mass259.03
IUPAC Namemethyl 4-amino-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxylate;hydrochloride
SMILESCOC(=O)c1nn(CC(F)(F)F)cc1N.Cl
InChIInChI=1S/C7H8F3N3O2.ClH/c1-15-6(14)5-4(11)2-13(12-5)3-7(8,9)10;/h2H,3,11H2,1H3;1H
InChIKeyUXJABDWYRKTYJK-UHFFFAOYSA-N
XLogP1.24
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.62
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-amino-1-(2-amino-2-oxoethyl)pyrazole-3-carboxylate
CID 107344544
methyl 4-amino-1-[2-(tert-butylamino)-2-oxoethyl]pyrazole-3-carboxylate
CID 107344720
methyl 4-amino-1-(5-hydroxypentyl)pyrazole-3-carboxylate
CID 107344620
methyl 4-amino-1-hexylpyrazole-3-carboxylate
CID 107344558
methyl 4-amino-1-[(3,4-difluorophenyl)methyl]pyrazole-3-carboxylate
CID 107344636
[4-amino-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-(azepan-1-yl)methanone
CID 132586535
methyl 4-amino-1-(cyclopropylmethoxymethyl)pyrazole-3-carboxylate
CID 107344491
ethyl 4-amino-1-(2,2-difluoro-2-phenylethyl)pyrazole-3-carboxylate
CID 107345044
methyl 4-amino-1-tert-butylpyrazole-3-carboxylate
CID 122445443
methyl 4-amino-1-[(2,3-difluorophenyl)methyl]pyrazole-3-carboxylate
CID 107344693
methyl 4-amino-1-[3-oxo-3-(propan-2-ylamino)propyl]pyrazole-3-carboxylate
CID 107344412
methyl 1-(2,2,2-trifluoroethyl)-1,2,4-triazole-3-carboxylate
CID 78955676

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxylate;hydrochloride?
The IUPAC name of methyl 4-amino-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxylate;hydrochloride (CID 146155798) is methyl 4-amino-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxylate;hydrochloride.
What is the SMILES notation for methyl 4-amino-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxylate;hydrochloride?
The canonical SMILES for methyl 4-amino-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxylate;hydrochloride is COC(=O)c1nn(CC(F)(F)F)cc1N.Cl.
What is the InChIKey of methyl 4-amino-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxylate;hydrochloride?
The InChIKey is UXJABDWYRKTYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O2.ClH/c1-15-6(14)5-4(11)2-13(12-5)3-7(8,9)10;/h2H,3,11H2,1H3;1H.
What are the key properties of methyl 4-amino-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxylate;hydrochloride?
methyl 4-amino-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxylate;hydrochloride has a molecular weight of 259.62 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxylate;hydrochloride is sourced from PubChem (CID 146155798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).