2-(1,2-benzoxazol-3-yl)-1-[2-[cyclopropyl(hydroxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone

C19H20N4O3 — CID 91781796

IUPAC2-(1,2-benzoxazol-3-yl)-1-[2-[cyclopropyl(hydroxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone
SMILESO=C(Cc1noc2ccccc12)N1CCn2nc(C(O)C3CC3)cc2C1
InChIInChI=1S/C19H20N4O3/c24-18(10-15-14-3-1-2-4-17(14)26-21-15)22-7-8-23-13(11-22)9-16(20-23)19(25)12-5-6-12/h1-4,9,12,19,25H,5-8,10-11H2
InChIKeyYQVVEMKXXYVMDN-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.05
Rot. Bonds4

About 2-(1,2-benzoxazol-3-yl)-1-[2-[cyclopropyl(hydroxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone

2-(1,2-benzoxazol-3-yl)-1-[2-[cyclopropyl(hydroxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone (PubChem CID 91781796) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-1-[2-[cyclopropyl(hydroxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-1-[2-[cyclopropyl(hydroxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone
PubChem CID91781796
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name2-(1,2-benzoxazol-3-yl)-1-[2-[cyclopropyl(hydroxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone
SMILESO=C(Cc1noc2ccccc12)N1CCn2nc(C(O)C3CC3)cc2C1
InChIInChI=1S/C19H20N4O3/c24-18(10-15-14-3-1-2-4-17(14)26-21-15)22-7-8-23-13(11-22)9-16(20-23)19(25)12-5-6-12/h1-4,9,12,19,25H,5-8,10-11H2
InChIKeyYQVVEMKXXYVMDN-UHFFFAOYSA-N
XLogP2.05
TPSA84.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-1-[2-[cyclopropyl(hydroxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-1-[2-[cyclopropyl(hydroxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone (CID 91781796) is 2-(1,2-benzoxazol-3-yl)-1-[2-[cyclopropyl(hydroxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-1-[2-[cyclopropyl(hydroxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-1-[2-[cyclopropyl(hydroxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone is O=C(Cc1noc2ccccc12)N1CCn2nc(C(O)C3CC3)cc2C1.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-1-[2-[cyclopropyl(hydroxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone?
The InChIKey is YQVVEMKXXYVMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c24-18(10-15-14-3-1-2-4-17(14)26-21-15)22-7-8-23-13(11-22)9-16(20-23)19(25)12-5-6-12/h1-4,9,12,19,25H,5-8,10-11H2.
What are the key properties of 2-(1,2-benzoxazol-3-yl)-1-[2-[cyclopropyl(hydroxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone?
2-(1,2-benzoxazol-3-yl)-1-[2-[cyclopropyl(hydroxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone has a molecular weight of 352.39 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-yl)-1-[2-[cyclopropyl(hydroxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone is sourced from PubChem (CID 91781796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).