2-tert-butyl-5-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine

C13H21N3 — CID 142538383

IUPAC2-tert-butyl-5-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
SMILESCC(C)(C)c1cc2n(n1)CCN(C1CC1)C2
InChIInChI=1S/C13H21N3/c1-13(2,3)12-8-11-9-15(10-4-5-10)6-7-16(11)14-12/h8,10H,4-7,9H2,1-3H3
InChIKeyIQHWQXKDKITOJI-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.16
Rot. Bonds1

About 2-tert-butyl-5-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine

2-tert-butyl-5-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine (PubChem CID 142538383) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-tert-butyl-5-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name2-tert-butyl-5-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
PubChem CID142538383
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name2-tert-butyl-5-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
SMILESCC(C)(C)c1cc2n(n1)CCN(C1CC1)C2
InChIInChI=1S/C13H21N3/c1-13(2,3)12-8-11-9-15(10-4-5-10)6-7-16(11)14-12/h8,10H,4-7,9H2,1-3H3
InChIKeyIQHWQXKDKITOJI-UHFFFAOYSA-N
XLogP2.16
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The IUPAC name of 2-tert-butyl-5-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine (CID 142538383) is 2-tert-butyl-5-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 2-tert-butyl-5-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 2-tert-butyl-5-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine is CC(C)(C)c1cc2n(n1)CCN(C1CC1)C2.
What is the InChIKey of 2-tert-butyl-5-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The InChIKey is IQHWQXKDKITOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-13(2,3)12-8-11-9-15(10-4-5-10)6-7-16(11)14-12/h8,10H,4-7,9H2,1-3H3.
What are the key properties of 2-tert-butyl-5-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
2-tert-butyl-5-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine has a molecular weight of 219.33 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 142538383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).