2-tert-butyl-4-[(3S)-3-methylpiperazin-1-yl]pyrazolo[1,5-a]pyrazine

C15H23N5 — CID 104977429

IUPAC2-tert-butyl-4-[(3S)-3-methylpiperazin-1-yl]pyrazolo[1,5-a]pyrazine
SMILESC[C@H]1CN(c2nccn3nc(C(C)(C)C)cc23)CCN1
InChIInChI=1S/C15H23N5/c1-11-10-19(7-5-16-11)14-12-9-13(15(2,3)4)18-20(12)8-6-17-14/h6,8-9,11,16H,5,7,10H2,1-4H3/t11-/m0/s1
InChIKeyGKLQGEVFVMVVSP-NSHDSACASA-N
MW273.38 g/mol
LogP1.82
Rot. Bonds1

About 2-tert-butyl-4-[(3S)-3-methylpiperazin-1-yl]pyrazolo[1,5-a]pyrazine

2-tert-butyl-4-[(3S)-3-methylpiperazin-1-yl]pyrazolo[1,5-a]pyrazine (PubChem CID 104977429) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-tert-butyl-4-[(3S)-3-methylpiperazin-1-yl]pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name2-tert-butyl-4-[(3S)-3-methylpiperazin-1-yl]pyrazolo[1,5-a]pyrazine
PubChem CID104977429
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC Name2-tert-butyl-4-[(3S)-3-methylpiperazin-1-yl]pyrazolo[1,5-a]pyrazine
SMILESC[C@H]1CN(c2nccn3nc(C(C)(C)C)cc23)CCN1
InChIInChI=1S/C15H23N5/c1-11-10-19(7-5-16-11)14-12-9-13(15(2,3)4)18-20(12)8-6-17-14/h6,8-9,11,16H,5,7,10H2,1-4H3/t11-/m0/s1
InChIKeyGKLQGEVFVMVVSP-NSHDSACASA-N
XLogP1.82
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-[(3S)-3-methylpiperazin-1-yl]pyrazolo[1,5-a]pyrazine?
The IUPAC name of 2-tert-butyl-4-[(3S)-3-methylpiperazin-1-yl]pyrazolo[1,5-a]pyrazine (CID 104977429) is 2-tert-butyl-4-[(3S)-3-methylpiperazin-1-yl]pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 2-tert-butyl-4-[(3S)-3-methylpiperazin-1-yl]pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 2-tert-butyl-4-[(3S)-3-methylpiperazin-1-yl]pyrazolo[1,5-a]pyrazine is C[C@H]1CN(c2nccn3nc(C(C)(C)C)cc23)CCN1.
What is the InChIKey of 2-tert-butyl-4-[(3S)-3-methylpiperazin-1-yl]pyrazolo[1,5-a]pyrazine?
The InChIKey is GKLQGEVFVMVVSP-NSHDSACASA-N. The full InChI is InChI=1S/C15H23N5/c1-11-10-19(7-5-16-11)14-12-9-13(15(2,3)4)18-20(12)8-6-17-14/h6,8-9,11,16H,5,7,10H2,1-4H3/t11-/m0/s1.
What are the key properties of 2-tert-butyl-4-[(3S)-3-methylpiperazin-1-yl]pyrazolo[1,5-a]pyrazine?
2-tert-butyl-4-[(3S)-3-methylpiperazin-1-yl]pyrazolo[1,5-a]pyrazine has a molecular weight of 273.38 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-[(3S)-3-methylpiperazin-1-yl]pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 104977429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).