(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-[1-(2-methoxyethyl)pyrrolidin-3-yl]methanone

C21H28N4O2 — CID 74232748

IUPAC(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-[1-(2-methoxyethyl)pyrrolidin-3-yl]methanone
SMILESCOCCN1CCC(C(=O)N2CCn3nc(Cc4ccccc4)cc3C2)C1
InChIInChI=1S/C21H28N4O2/c1-27-12-11-23-8-7-18(15-23)21(26)24-9-10-25-20(16-24)14-19(22-25)13-17-5-3-2-4-6-17/h2-6,14,18H,7-13,15-16H2,1H3
InChIKeyCVWWWBXRTMRLEN-UHFFFAOYSA-N
MW368.48 g/mol
LogP1.78
Rot. Bonds6

About (2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-[1-(2-methoxyethyl)pyrrolidin-3-yl]methanone

(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-[1-(2-methoxyethyl)pyrrolidin-3-yl]methanone (PubChem CID 74232748) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is (2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-[1-(2-methoxyethyl)pyrrolidin-3-yl]methanone.

Molecular Properties

Compound Name(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-[1-(2-methoxyethyl)pyrrolidin-3-yl]methanone
PubChem CID74232748
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-[1-(2-methoxyethyl)pyrrolidin-3-yl]methanone
SMILESCOCCN1CCC(C(=O)N2CCn3nc(Cc4ccccc4)cc3C2)C1
InChIInChI=1S/C21H28N4O2/c1-27-12-11-23-8-7-18(15-23)21(26)24-9-10-25-20(16-24)14-19(22-25)13-17-5-3-2-4-6-17/h2-6,14,18H,7-13,15-16H2,1H3
InChIKeyCVWWWBXRTMRLEN-UHFFFAOYSA-N
XLogP1.78
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-[1-(2-methoxyethyl)pyrrolidin-3-yl]methanone?
The IUPAC name of (2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-[1-(2-methoxyethyl)pyrrolidin-3-yl]methanone (CID 74232748) is (2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-[1-(2-methoxyethyl)pyrrolidin-3-yl]methanone.
What is the SMILES notation for (2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-[1-(2-methoxyethyl)pyrrolidin-3-yl]methanone?
The canonical SMILES for (2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-[1-(2-methoxyethyl)pyrrolidin-3-yl]methanone is COCCN1CCC(C(=O)N2CCn3nc(Cc4ccccc4)cc3C2)C1.
What is the InChIKey of (2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-[1-(2-methoxyethyl)pyrrolidin-3-yl]methanone?
The InChIKey is CVWWWBXRTMRLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-27-12-11-23-8-7-18(15-23)21(26)24-9-10-25-20(16-24)14-19(22-25)13-17-5-3-2-4-6-17/h2-6,14,18H,7-13,15-16H2,1H3.
What are the key properties of (2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-[1-(2-methoxyethyl)pyrrolidin-3-yl]methanone?
(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-[1-(2-methoxyethyl)pyrrolidin-3-yl]methanone has a molecular weight of 368.48 g/mol, XLogP of 1.78, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-[1-(2-methoxyethyl)pyrrolidin-3-yl]methanone is sourced from PubChem (CID 74232748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).