2-(2-chloro-6-fluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine

C14H12ClFN4 — CID 103126337

IUPAC2-(2-chloro-6-fluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine
SMILESNC(Cc1c(F)cccc1Cl)c1cnn2ccncc12
InChIInChI=1S/C14H12ClFN4/c15-11-2-1-3-12(16)9(11)6-13(17)10-7-19-20-5-4-18-8-14(10)20/h1-5,7-8,13H,6,17H2
InChIKeyDAOOJPAORAVQNH-UHFFFAOYSA-N
MW290.73 g/mol
LogP2.76
Rot. Bonds3

About 2-(2-chloro-6-fluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine

2-(2-chloro-6-fluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine (PubChem CID 103126337) has the molecular formula C14H12ClFN4 and a molecular weight of 290.73 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine
PubChem CID103126337
Molecular FormulaC14H12ClFN4
Molecular Weight290.73 g/mol
Exact Mass290.07
IUPAC Name2-(2-chloro-6-fluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine
SMILESNC(Cc1c(F)cccc1Cl)c1cnn2ccncc12
InChIInChI=1S/C14H12ClFN4/c15-11-2-1-3-12(16)9(11)6-13(17)10-7-19-20-5-4-18-8-14(10)20/h1-5,7-8,13H,6,17H2
InChIKeyDAOOJPAORAVQNH-UHFFFAOYSA-N
XLogP2.76
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.73
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,6-difluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanol
CID 103129309
2-(4-bromo-2-fluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine
CID 103126754
(2-chlorophenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethanamine
CID 103126268
2-(5-bromo-2-fluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine
CID 103126629
1-pyrazolo[1,5-a]pyrazin-3-yl-2-pyridin-2-ylethanamine
CID 103127478
[2-(2,3-difluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethyl]hydrazine
CID 103129566
1-pyrazolo[1,5-a]pyrazin-3-ylpropan-1-amine
CID 103125780
2-(1-methylpyrazol-3-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine
CID 103127963
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine
CID 103127505
2-(3-chloro-4-fluorophenyl)-1-pyrazolo[1,5-a]pyridin-3-ylethanamine
CID 103128465
2-(5-chloro-2-fluorophenyl)-1-pyrazolo[1,5-a]pyridin-3-ylethanamine
CID 103128470
3,5-dimethyl-1-pyrazolo[1,5-a]pyrazin-3-ylhexan-1-amine
CID 114201709

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine (CID 103126337) is 2-(2-chloro-6-fluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine is NC(Cc1c(F)cccc1Cl)c1cnn2ccncc12.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine?
The InChIKey is DAOOJPAORAVQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN4/c15-11-2-1-3-12(16)9(11)6-13(17)10-7-19-20-5-4-18-8-14(10)20/h1-5,7-8,13H,6,17H2.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine?
2-(2-chloro-6-fluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine has a molecular weight of 290.73 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine is sourced from PubChem (CID 103126337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).