2-[1-[3-amino-4-(6-chloropyrazolo[1,5-a]pyrazin-4-yl)pyrazol-1-yl]cyclobutyl]acetonitrile

C15H14ClN7 — CID 162532612

IUPAC2-[1-[3-amino-4-(6-chloropyrazolo[1,5-a]pyrazin-4-yl)pyrazol-1-yl]cyclobutyl]acetonitrile
SMILESN#CCC1(n2cc(-c3nc(Cl)cn4nccc34)c(N)n2)CCC1
InChIInChI=1S/C15H14ClN7/c16-12-9-22-11(2-7-19-22)13(20-12)10-8-23(21-14(10)18)15(5-6-17)3-1-4-15/h2,7-9H,1,3-5H2,(H2,18,21)
InChIKeyUFDPSSNLQDNWSM-UHFFFAOYSA-N
MW327.78 g/mol
LogP2.62
Rot. Bonds3

About 2-[1-[3-amino-4-(6-chloropyrazolo[1,5-a]pyrazin-4-yl)pyrazol-1-yl]cyclobutyl]acetonitrile

2-[1-[3-amino-4-(6-chloropyrazolo[1,5-a]pyrazin-4-yl)pyrazol-1-yl]cyclobutyl]acetonitrile (PubChem CID 162532612) has the molecular formula C15H14ClN7 and a molecular weight of 327.78 g/mol. Its IUPAC name is 2-[1-[3-amino-4-(6-chloropyrazolo[1,5-a]pyrazin-4-yl)pyrazol-1-yl]cyclobutyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[3-amino-4-(6-chloropyrazolo[1,5-a]pyrazin-4-yl)pyrazol-1-yl]cyclobutyl]acetonitrile
PubChem CID162532612
Molecular FormulaC15H14ClN7
Molecular Weight327.78 g/mol
Exact Mass327.10
IUPAC Name2-[1-[3-amino-4-(6-chloropyrazolo[1,5-a]pyrazin-4-yl)pyrazol-1-yl]cyclobutyl]acetonitrile
SMILESN#CCC1(n2cc(-c3nc(Cl)cn4nccc34)c(N)n2)CCC1
InChIInChI=1S/C15H14ClN7/c16-12-9-22-11(2-7-19-22)13(20-12)10-8-23(21-14(10)18)15(5-6-17)3-1-4-15/h2,7-9H,1,3-5H2,(H2,18,21)
InChIKeyUFDPSSNLQDNWSM-UHFFFAOYSA-N
XLogP2.62
TPSA97.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.78
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-amino-4-(6-chloropyrazolo[1,5-a]pyrazin-4-yl)pyrazol-1-yl]cyclobutyl]acetonitrile?
The IUPAC name of 2-[1-[3-amino-4-(6-chloropyrazolo[1,5-a]pyrazin-4-yl)pyrazol-1-yl]cyclobutyl]acetonitrile (CID 162532612) is 2-[1-[3-amino-4-(6-chloropyrazolo[1,5-a]pyrazin-4-yl)pyrazol-1-yl]cyclobutyl]acetonitrile.
What is the SMILES notation for 2-[1-[3-amino-4-(6-chloropyrazolo[1,5-a]pyrazin-4-yl)pyrazol-1-yl]cyclobutyl]acetonitrile?
The canonical SMILES for 2-[1-[3-amino-4-(6-chloropyrazolo[1,5-a]pyrazin-4-yl)pyrazol-1-yl]cyclobutyl]acetonitrile is N#CCC1(n2cc(-c3nc(Cl)cn4nccc34)c(N)n2)CCC1.
What is the InChIKey of 2-[1-[3-amino-4-(6-chloropyrazolo[1,5-a]pyrazin-4-yl)pyrazol-1-yl]cyclobutyl]acetonitrile?
The InChIKey is UFDPSSNLQDNWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN7/c16-12-9-22-11(2-7-19-22)13(20-12)10-8-23(21-14(10)18)15(5-6-17)3-1-4-15/h2,7-9H,1,3-5H2,(H2,18,21).
What are the key properties of 2-[1-[3-amino-4-(6-chloropyrazolo[1,5-a]pyrazin-4-yl)pyrazol-1-yl]cyclobutyl]acetonitrile?
2-[1-[3-amino-4-(6-chloropyrazolo[1,5-a]pyrazin-4-yl)pyrazol-1-yl]cyclobutyl]acetonitrile has a molecular weight of 327.78 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-amino-4-(6-chloropyrazolo[1,5-a]pyrazin-4-yl)pyrazol-1-yl]cyclobutyl]acetonitrile is sourced from PubChem (CID 162532612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).