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

C24H23N5O — CID 74243991

IUPAC(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-(1-benzylpyrazol-4-yl)methanone
SMILESO=C(c1cnn(Cc2ccccc2)c1)N1CCn2nc(Cc3ccccc3)cc2C1
InChIInChI=1S/C24H23N5O/c30-24(21-15-25-28(17-21)16-20-9-5-2-6-10-20)27-11-12-29-23(18-27)14-22(26-29)13-19-7-3-1-4-8-19/h1-10,14-15,17H,11-13,16,18H2
InChIKeyWDVSOXFAIPIYDM-UHFFFAOYSA-N
MW397.48 g/mol
LogP3.37
Rot. Bonds5

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

(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-(1-benzylpyrazol-4-yl)methanone (PubChem CID 74243991) has the molecular formula C24H23N5O and a molecular weight of 397.48 g/mol. Its IUPAC name is (2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-(1-benzylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-(1-benzylpyrazol-4-yl)methanone
PubChem CID74243991
Molecular FormulaC24H23N5O
Molecular Weight397.48 g/mol
Exact Mass397.19
IUPAC Name(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-(1-benzylpyrazol-4-yl)methanone
SMILESO=C(c1cnn(Cc2ccccc2)c1)N1CCn2nc(Cc3ccccc3)cc2C1
InChIInChI=1S/C24H23N5O/c30-24(21-15-25-28(17-21)16-20-9-5-2-6-10-20)27-11-12-29-23(18-27)14-22(26-29)13-19-7-3-1-4-8-19/h1-10,14-15,17H,11-13,16,18H2
InChIKeyWDVSOXFAIPIYDM-UHFFFAOYSA-N
XLogP3.37
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 46564681
(1-benzylpyrazol-4-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 9226790
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CID 72859321
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CID 35763357
(1-benzylpyrazol-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
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CID 9474985
(1-benzylpyrazol-4-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
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(1-benzylpyrazol-4-yl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
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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-benzylpyrazol-4-yl)methanone?
The IUPAC name of (2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-(1-benzylpyrazol-4-yl)methanone (CID 74243991) is (2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-(1-benzylpyrazol-4-yl)methanone.
What is the SMILES notation for (2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-(1-benzylpyrazol-4-yl)methanone?
The canonical SMILES for (2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-(1-benzylpyrazol-4-yl)methanone is O=C(c1cnn(Cc2ccccc2)c1)N1CCn2nc(Cc3ccccc3)cc2C1.
What is the InChIKey of (2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-(1-benzylpyrazol-4-yl)methanone?
The InChIKey is WDVSOXFAIPIYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O/c30-24(21-15-25-28(17-21)16-20-9-5-2-6-10-20)27-11-12-29-23(18-27)14-22(26-29)13-19-7-3-1-4-8-19/h1-10,14-15,17H,11-13,16,18H2.
What are the key properties of (2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-(1-benzylpyrazol-4-yl)methanone?
(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-(1-benzylpyrazol-4-yl)methanone has a molecular weight of 397.48 g/mol, XLogP of 3.37, 5 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-benzylpyrazol-4-yl)methanone is sourced from PubChem (CID 74243991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).