N-(2-chloroethyl)-N-ethyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine

C11H12ClF3N4 — CID 113446611

IUPACN-(2-chloroethyl)-N-ethyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
SMILESCCN(CCCl)c1nccn2nc(C(F)(F)F)cc12
InChIInChI=1S/C11H12ClF3N4/c1-2-18(5-3-12)10-8-7-9(11(13,14)15)17-19(8)6-4-16-10/h4,6-7H,2-3,5H2,1H3
InChIKeyOWDXTZWQNGLJBK-UHFFFAOYSA-N
MW292.69 g/mol
LogP2.81
Rot. Bonds4

About N-(2-chloroethyl)-N-ethyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine

N-(2-chloroethyl)-N-ethyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 113446611) has the molecular formula C11H12ClF3N4 and a molecular weight of 292.69 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-ethyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-ethyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
PubChem CID113446611
Molecular FormulaC11H12ClF3N4
Molecular Weight292.69 g/mol
Exact Mass292.07
IUPAC NameN-(2-chloroethyl)-N-ethyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
SMILESCCN(CCCl)c1nccn2nc(C(F)(F)F)cc12
InChIInChI=1S/C11H12ClF3N4/c1-2-18(5-3-12)10-8-7-9(11(13,14)15)17-19(8)6-4-16-10/h4,6-7H,2-3,5H2,1H3
InChIKeyOWDXTZWQNGLJBK-UHFFFAOYSA-N
XLogP2.81
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.69
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N'-propyl-N'-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]ethane-1,2-diamine
CID 104733689
N-(1-bromopropan-2-yl)-N-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 113446668
3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-ethylamino]propanoic acid
CID 104729406
3-[methyl-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]butanenitrile
CID 104729975
N-(4-chloro-2-methylbutyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104734018
2-N,2-N-dimethyl-1-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]propane-1,2-diamine
CID 104730897
N-(2,2-dimethylpropyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104730934
4-(4-chlorobutan-2-ylsulfonyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazine
CID 104732292
N',N'-dimethyl-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]butane-1,4-diamine
CID 104731247
N'-[(3-chlorophenyl)methyl]-N'-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]ethane-1,2-diamine;2,2,2-trifluoroacetic acid
CID 167789901
4-(1-chloropropan-2-ylsulfonyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazine
CID 104732302
N-(2-methylbutyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104731373

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-ethyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of N-(2-chloroethyl)-N-ethyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine (CID 113446611) is N-(2-chloroethyl)-N-ethyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for N-(2-chloroethyl)-N-ethyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for N-(2-chloroethyl)-N-ethyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine is CCN(CCCl)c1nccn2nc(C(F)(F)F)cc12.
What is the InChIKey of N-(2-chloroethyl)-N-ethyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is OWDXTZWQNGLJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF3N4/c1-2-18(5-3-12)10-8-7-9(11(13,14)15)17-19(8)6-4-16-10/h4,6-7H,2-3,5H2,1H3.
What are the key properties of N-(2-chloroethyl)-N-ethyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine?
N-(2-chloroethyl)-N-ethyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 292.69 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-ethyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 113446611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).