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

C15H21N5 — CID 104729977

IUPAC3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-methylamino]butanenitrile
SMILESCC(CC#N)N(C)c1nccn2nc(C(C)(C)C)cc12
InChIInChI=1S/C15H21N5/c1-11(6-7-16)19(5)14-12-10-13(15(2,3)4)18-20(12)9-8-17-14/h8-11H,6H2,1-5H3
InChIKeyHSQOONIWRCOXOI-UHFFFAOYSA-N
MW271.37 g/mol
LogP2.77
Rot. Bonds3

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

3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-methylamino]butanenitrile (PubChem CID 104729977) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-methylamino]butanenitrile.

Molecular Properties

Compound Name3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-methylamino]butanenitrile
PubChem CID104729977
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-methylamino]butanenitrile
SMILESCC(CC#N)N(C)c1nccn2nc(C(C)(C)C)cc12
InChIInChI=1S/C15H21N5/c1-11(6-7-16)19(5)14-12-10-13(15(2,3)4)18-20(12)9-8-17-14/h8-11H,6H2,1-5H3
InChIKeyHSQOONIWRCOXOI-UHFFFAOYSA-N
XLogP2.77
TPSA57.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[methyl-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]butanenitrile
CID 104729975
1-N-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-1-N-methylpropane-1,2-diamine
CID 104734218
N-(1-bromopropan-2-yl)-N-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 113446668
N'-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-N'-methylpropane-1,3-diamine
CID 104729815
1-N-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-3-methoxy-1-N-methylpropane-1,2-diamine
CID 104734234
3-[methyl-(1-methylimidazo[4,5-c]pyridin-4-yl)amino]butanenitrile
CID 103385220
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)-3-chloropropanenitrile
CID 104733790
3-[methyl-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]butanenitrile
CID 63228649
4-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-methylamino]butanoic acid
CID 104729317
3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-ethylamino]propanoic acid
CID 104729406
3-[(3-aminopyrazin-2-yl)-methylamino]butanenitrile
CID 102986461

Frequently Asked Questions

What is the IUPAC name of 3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-methylamino]butanenitrile?
The IUPAC name of 3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-methylamino]butanenitrile (CID 104729977) is 3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-methylamino]butanenitrile.
What is the SMILES notation for 3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-methylamino]butanenitrile?
The canonical SMILES for 3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-methylamino]butanenitrile is CC(CC#N)N(C)c1nccn2nc(C(C)(C)C)cc12.
What is the InChIKey of 3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-methylamino]butanenitrile?
The InChIKey is HSQOONIWRCOXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-11(6-7-16)19(5)14-12-10-13(15(2,3)4)18-20(12)9-8-17-14/h8-11H,6H2,1-5H3.
What are the key properties of 3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-methylamino]butanenitrile?
3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-methylamino]butanenitrile has a molecular weight of 271.37 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-methylamino]butanenitrile is sourced from PubChem (CID 104729977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).