(2-chlorophenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethanamine

C13H11ClN4 — CID 103126268

IUPAC(2-chlorophenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethanamine
SMILESNC(c1ccccc1Cl)c1cnn2ccncc12
InChIInChI=1S/C13H11ClN4/c14-11-4-2-1-3-9(11)13(15)10-7-17-18-6-5-16-8-12(10)18/h1-8,13H,15H2
InChIKeyQSIZVJQMKCDNJX-UHFFFAOYSA-N
MW258.71 g/mol
LogP2.43
Rot. Bonds2

About (2-chlorophenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethanamine

(2-chlorophenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethanamine (PubChem CID 103126268) has the molecular formula C13H11ClN4 and a molecular weight of 258.71 g/mol. Its IUPAC name is (2-chlorophenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethanamine.

Molecular Properties

Compound Name(2-chlorophenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethanamine
PubChem CID103126268
Molecular FormulaC13H11ClN4
Molecular Weight258.71 g/mol
Exact Mass258.07
IUPAC Name(2-chlorophenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethanamine
SMILESNC(c1ccccc1Cl)c1cnn2ccncc12
InChIInChI=1S/C13H11ClN4/c14-11-4-2-1-3-9(11)13(15)10-7-17-18-6-5-16-8-12(10)18/h1-8,13H,15H2
InChIKeyQSIZVJQMKCDNJX-UHFFFAOYSA-N
XLogP2.43
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

naphthalen-1-yl(pyrazolo[1,5-a]pyrazin-3-yl)methanamine
CID 103126924
(4-chloro-1-methylpyrazol-5-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanamine
CID 103128263
N-[(2-chlorophenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethyl]propan-1-amine
CID 103126263
(4-chloro-1-propan-2-ylpyrazol-5-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanamine
CID 103128207
2-(2-chloro-6-fluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine
CID 103126337
(5-fluoro-1-benzofuran-2-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanamine
CID 103128255
(2,5-dichlorophenyl)-pyrazolo[1,5-a]pyridin-3-ylmethanamine
CID 103126951
(4-methoxyphenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethanamine
CID 103126217
2-(2-chlorophenyl)-N-ethyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine
CID 103126235
1-pyrazolo[1,5-a]pyrazin-3-yl-2-pyridin-2-ylethanamine
CID 103127478
1-pyrazolo[1,5-a]pyrazin-3-ylpropan-1-amine
CID 103125780
(3,4-dichlorophenyl)-pyrazolo[1,5-a]pyridin-3-ylmethanamine
CID 103125713

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethanamine?
The IUPAC name of (2-chlorophenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethanamine (CID 103126268) is (2-chlorophenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethanamine.
What is the SMILES notation for (2-chlorophenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethanamine?
The canonical SMILES for (2-chlorophenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethanamine is NC(c1ccccc1Cl)c1cnn2ccncc12.
What is the InChIKey of (2-chlorophenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethanamine?
The InChIKey is QSIZVJQMKCDNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4/c14-11-4-2-1-3-9(11)13(15)10-7-17-18-6-5-16-8-12(10)18/h1-8,13H,15H2.
What are the key properties of (2-chlorophenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethanamine?
(2-chlorophenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethanamine has a molecular weight of 258.71 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethanamine is sourced from PubChem (CID 103126268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).