6-chloro-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazine

C13H11ClN4O — CID 177223164

IUPAC6-chloro-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazine
SMILESCOc1ccc(Cn2cc3ncc(Cl)nc3n2)cc1
InChIInChI=1S/C13H11ClN4O/c1-19-10-4-2-9(3-5-10)7-18-8-11-13(17-18)16-12(14)6-15-11/h2-6,8H,7H2,1H3
InChIKeyJWIPAWTWXJDUJW-UHFFFAOYSA-N
MW274.71 g/mol
LogP2.54
Rot. Bonds3

About 6-chloro-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazine

6-chloro-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazine (PubChem CID 177223164) has the molecular formula C13H11ClN4O and a molecular weight of 274.71 g/mol. Its IUPAC name is 6-chloro-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazine.

Molecular Properties

Compound Name6-chloro-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazine
PubChem CID177223164
Molecular FormulaC13H11ClN4O
Molecular Weight274.71 g/mol
Exact Mass274.06
IUPAC Name6-chloro-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazine
SMILESCOc1ccc(Cn2cc3ncc(Cl)nc3n2)cc1
InChIInChI=1S/C13H11ClN4O/c1-19-10-4-2-9(3-5-10)7-18-8-11-13(17-18)16-12(14)6-15-11/h2-6,8H,7H2,1H3
InChIKeyJWIPAWTWXJDUJW-UHFFFAOYSA-N
XLogP2.54
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.71
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-chloro-2-[(4-methoxyphenyl)methyl]-5-(1-methyl-1,2,4-triazol-3-yl)pyrazolo[4,3-d]pyrimidine
CID 90105081
3-bromo-4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazole
CID 118618664
7-chloro-2-[(4-methoxyphenyl)methyl]-5-(1-propan-2-ylpyrazol-4-yl)pyrazolo[4,3-d]pyrimidine
CID 90104061
7-chloro-2-[(4-methoxyphenyl)methyl]-5-[1-(2-methylpropyl)pyrazol-4-yl]pyrazolo[4,3-d]pyrimidine
CID 90104713
2-chloro-3-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]pyridine
CID 137373649
3-iodo-1-[(4-methoxyphenyl)methyl]pyrazole
CID 122574019
4-tert-butyl-1-[(4-methoxyphenyl)methyl]pyrazole
CID 155787800
[3-amino-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]methanol
CID 174330913
7-chloro-5-(2,6-difluorophenyl)-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidine
CID 86675306
7-chloro-5-(2,5-dimethoxyphenyl)-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidine
CID 86675269
7-chloro-2-[(4-methoxyphenyl)methyl]-5-(6-pyrrolidin-1-yl-3-pyridinyl)pyrazolo[4,3-d]pyrimidine
CID 86675255
2-[(4-methoxyphenyl)methyl]-5H-pyrazolo[4,3-c]pyridin-4-one
CID 154637502

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazine?
The IUPAC name of 6-chloro-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazine (CID 177223164) is 6-chloro-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazine.
What is the SMILES notation for 6-chloro-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazine?
The canonical SMILES for 6-chloro-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazine is COc1ccc(Cn2cc3ncc(Cl)nc3n2)cc1.
What is the InChIKey of 6-chloro-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazine?
The InChIKey is JWIPAWTWXJDUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O/c1-19-10-4-2-9(3-5-10)7-18-8-11-13(17-18)16-12(14)6-15-11/h2-6,8H,7H2,1H3.
What are the key properties of 6-chloro-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazine?
6-chloro-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazine has a molecular weight of 274.71 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazine is sourced from PubChem (CID 177223164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).