2-(2,5-dichlorophenyl)-N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine

C15H14Cl2N4 — CID 103127264

IUPAC2-(2,5-dichlorophenyl)-N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine
SMILESCNC(Cc1cc(Cl)ccc1Cl)c1cnn2ccncc12
InChIInChI=1S/C15H14Cl2N4/c1-18-14(7-10-6-11(16)2-3-13(10)17)12-8-20-21-5-4-19-9-15(12)21/h2-6,8-9,14,18H,7H2,1H3
InChIKeyGRGWNGCTZUSCCQ-UHFFFAOYSA-N
MW321.21 g/mol
LogP3.54
Rot. Bonds4

About 2-(2,5-dichlorophenyl)-N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine

2-(2,5-dichlorophenyl)-N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine (PubChem CID 103127264) has the molecular formula C15H14Cl2N4 and a molecular weight of 321.21 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)-N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)-N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine
PubChem CID103127264
Molecular FormulaC15H14Cl2N4
Molecular Weight321.21 g/mol
Exact Mass320.06
IUPAC Name2-(2,5-dichlorophenyl)-N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine
SMILESCNC(Cc1cc(Cl)ccc1Cl)c1cnn2ccncc12
InChIInChI=1S/C15H14Cl2N4/c1-18-14(7-10-6-11(16)2-3-13(10)17)12-8-20-21-5-4-19-9-15(12)21/h2-6,8-9,14,18H,7H2,1H3
InChIKeyGRGWNGCTZUSCCQ-UHFFFAOYSA-N
XLogP3.54
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.21
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-2-chlorophenyl)-N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine
CID 103128151
2-(2-chlorophenyl)-N-ethyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine
CID 103126235
[2-(3-chlorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethyl]hydrazine
CID 103129398
N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylpentan-1-amine
CID 103126562
2-cyclopentyl-N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine
CID 103126827
N-methyl-3-methylidene-1-pyrazolo[1,5-a]pyrazin-3-ylpentan-1-amine
CID 103127642
4-methoxy-N,4-dimethyl-1-pyrazolo[1,5-a]pyrazin-3-ylpentan-1-amine
CID 103128455
N-methyl-4-methylsulfonyl-1-pyrazolo[1,5-a]pyrazin-3-ylbutan-1-amine
CID 103126404
[2-(2,3-difluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethyl]hydrazine
CID 103129566
2-(2-chloro-5-fluorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine
CID 102622559
N-methyl-2-(oxan-4-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine
CID 103126815
2-(2-chloro-5-fluorophenyl)-1-(5-chloro-2-fluorophenyl)-N-methylethanamine
CID 102619421

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)-N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine?
The IUPAC name of 2-(2,5-dichlorophenyl)-N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine (CID 103127264) is 2-(2,5-dichlorophenyl)-N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine.
What is the SMILES notation for 2-(2,5-dichlorophenyl)-N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine?
The canonical SMILES for 2-(2,5-dichlorophenyl)-N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine is CNC(Cc1cc(Cl)ccc1Cl)c1cnn2ccncc12.
What is the InChIKey of 2-(2,5-dichlorophenyl)-N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine?
The InChIKey is GRGWNGCTZUSCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N4/c1-18-14(7-10-6-11(16)2-3-13(10)17)12-8-20-21-5-4-19-9-15(12)21/h2-6,8-9,14,18H,7H2,1H3.
What are the key properties of 2-(2,5-dichlorophenyl)-N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine?
2-(2,5-dichlorophenyl)-N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine has a molecular weight of 321.21 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)-N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine is sourced from PubChem (CID 103127264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).