2-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-3-chloropropanenitrile

C13H15ClN4 — CID 104733790

IUPAC2-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-3-chloropropanenitrile
SMILESCC(C)(C)c1cc2c(C(C#N)CCl)nccn2n1
InChIInChI=1S/C13H15ClN4/c1-13(2,3)11-6-10-12(9(7-14)8-15)16-4-5-18(10)17-11/h4-6,9H,7H2,1-3H3
InChIKeyZEKCLQHAZIFRLI-UHFFFAOYSA-N
MW262.74 g/mol
LogP2.87
Rot. Bonds2

About 2-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-3-chloropropanenitrile

2-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-3-chloropropanenitrile (PubChem CID 104733790) has the molecular formula C13H15ClN4 and a molecular weight of 262.74 g/mol. Its IUPAC name is 2-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-3-chloropropanenitrile.

Molecular Properties

Compound Name2-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-3-chloropropanenitrile
PubChem CID104733790
Molecular FormulaC13H15ClN4
Molecular Weight262.74 g/mol
Exact Mass262.10
IUPAC Name2-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-3-chloropropanenitrile
SMILESCC(C)(C)c1cc2c(C(C#N)CCl)nccn2n1
InChIInChI=1S/C13H15ClN4/c1-13(2,3)11-6-10-12(9(7-14)8-15)16-4-5-18(10)17-11/h4-6,9H,7H2,1-3H3
InChIKeyZEKCLQHAZIFRLI-UHFFFAOYSA-N
XLogP2.87
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-tert-butyl-N-(3-chloro-2-methylpropyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104733993
2-tert-butyl-N-(2-chloroethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104733907
3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-methylamino]butanenitrile
CID 104729977
2-tert-butyl-N-(2-methylpropyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104730378
1-N-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-1-N-methylpropane-1,2-diamine
CID 104734218
2-tert-butyl-N-[3-(chloromethyl)pentan-3-yl]pyrazolo[1,5-a]pyrazin-4-amine
CID 104733983
2-tert-butyl-N-(2,2-difluoroethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 113446406
2-tert-butyl-N-(2-chloro-3-methoxypropyl)-N-methylpyrazolo[1,5-a]pyrazin-4-amine
CID 104733885
2-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]propane-1,3-diol
CID 104731728
2-tert-butyl-N-[2-(2-chloroethoxy)ethyl]pyrazolo[1,5-a]pyrazin-4-amine
CID 104733925
2-tert-butyl-N-pent-1-yn-3-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 106231271
N'-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-N'-methylpropane-1,3-diamine
CID 104729815

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-3-chloropropanenitrile?
The IUPAC name of 2-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-3-chloropropanenitrile (CID 104733790) is 2-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-3-chloropropanenitrile.
What is the SMILES notation for 2-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-3-chloropropanenitrile?
The canonical SMILES for 2-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-3-chloropropanenitrile is CC(C)(C)c1cc2c(C(C#N)CCl)nccn2n1.
What is the InChIKey of 2-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-3-chloropropanenitrile?
The InChIKey is ZEKCLQHAZIFRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4/c1-13(2,3)11-6-10-12(9(7-14)8-15)16-4-5-18(10)17-11/h4-6,9H,7H2,1-3H3.
What are the key properties of 2-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-3-chloropropanenitrile?
2-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-3-chloropropanenitrile has a molecular weight of 262.74 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-3-chloropropanenitrile is sourced from PubChem (CID 104733790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).