cyclobutyl-[2-[hydroxy-(1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone

C16H21N5O2 — CID 91790670

IUPACcyclobutyl-[2-[hydroxy-(1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
SMILESCn1ccnc1C(O)c1cc2n(n1)CCN(C(=O)C1CCC1)C2
InChIInChI=1S/C16H21N5O2/c1-19-6-5-17-15(19)14(22)13-9-12-10-20(7-8-21(12)18-13)16(23)11-3-2-4-11/h5-6,9,11,14,22H,2-4,7-8,10H2,1H3
InChIKeyPVSXMJZANOWUEK-UHFFFAOYSA-N
MW315.38 g/mol
LogP0.84
Rot. Bonds3

About cyclobutyl-[2-[hydroxy-(1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone

cyclobutyl-[2-[hydroxy-(1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone (PubChem CID 91790670) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is cyclobutyl-[2-[hydroxy-(1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[2-[hydroxy-(1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
PubChem CID91790670
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Namecyclobutyl-[2-[hydroxy-(1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
SMILESCn1ccnc1C(O)c1cc2n(n1)CCN(C(=O)C1CCC1)C2
InChIInChI=1S/C16H21N5O2/c1-19-6-5-17-15(19)14(22)13-9-12-10-20(7-8-21(12)18-13)16(23)11-3-2-4-11/h5-6,9,11,14,22H,2-4,7-8,10H2,1H3
InChIKeyPVSXMJZANOWUEK-UHFFFAOYSA-N
XLogP0.84
TPSA76.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[2-[hydroxy-(1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone?
The IUPAC name of cyclobutyl-[2-[hydroxy-(1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone (CID 91790670) is cyclobutyl-[2-[hydroxy-(1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone.
What is the SMILES notation for cyclobutyl-[2-[hydroxy-(1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone?
The canonical SMILES for cyclobutyl-[2-[hydroxy-(1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone is Cn1ccnc1C(O)c1cc2n(n1)CCN(C(=O)C1CCC1)C2.
What is the InChIKey of cyclobutyl-[2-[hydroxy-(1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone?
The InChIKey is PVSXMJZANOWUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-19-6-5-17-15(19)14(22)13-9-12-10-20(7-8-21(12)18-13)16(23)11-3-2-4-11/h5-6,9,11,14,22H,2-4,7-8,10H2,1H3.
What are the key properties of cyclobutyl-[2-[hydroxy-(1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone?
cyclobutyl-[2-[hydroxy-(1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone has a molecular weight of 315.38 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[2-[hydroxy-(1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone is sourced from PubChem (CID 91790670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).