5-benzyl-2-(4-bromophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine

C19H18BrN3 — CID 171367238

IUPAC5-benzyl-2-(4-bromophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
SMILESBrc1ccc(-c2cc3n(n2)CCN(Cc2ccccc2)C3)cc1
InChIInChI=1S/C19H18BrN3/c20-17-8-6-16(7-9-17)19-12-18-14-22(10-11-23(18)21-19)13-15-4-2-1-3-5-15/h1-9,12H,10-11,13-14H2
InChIKeyCZMJBJKOTLHQKU-UHFFFAOYSA-N
MW368.28 g/mol
LogP4.33
Rot. Bonds3

About 5-benzyl-2-(4-bromophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine

5-benzyl-2-(4-bromophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine (PubChem CID 171367238) has the molecular formula C19H18BrN3 and a molecular weight of 368.28 g/mol. Its IUPAC name is 5-benzyl-2-(4-bromophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name5-benzyl-2-(4-bromophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
PubChem CID171367238
Molecular FormulaC19H18BrN3
Molecular Weight368.28 g/mol
Exact Mass367.07
IUPAC Name5-benzyl-2-(4-bromophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
SMILESBrc1ccc(-c2cc3n(n2)CCN(Cc2ccccc2)C3)cc1
InChIInChI=1S/C19H18BrN3/c20-17-8-6-16(7-9-17)19-12-18-14-22(10-11-23(18)21-19)13-15-4-2-1-3-5-15/h1-9,12H,10-11,13-14H2
InChIKeyCZMJBJKOTLHQKU-UHFFFAOYSA-N
XLogP4.33
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.28
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-benzyl-2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 137452745
5-benzyl-2-pyridin-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
CID 122663123
5-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 67958777
1-(5-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-2-methylsulfonylethanol
CID 90653864
5-benzyl-N-[1-(hydroxymethyl)cyclopentyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 50985031
4-(5-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonyl)-1-methylpiperazin-2-one
CID 56720323
1,4,7,10-tetrakis[(4-bromophenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 71732809
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
5-[(3-fluorophenyl)methyl]-2-(3-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 118048281
N-(5-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)naphthalene-1-carboxamide
CID 167862401
5-(pyridin-4-ylmethyl)-2-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
CID 53186406
5-[(2-methylphenyl)methyl]-2-pyridin-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 118048262

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-(4-bromophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The IUPAC name of 5-benzyl-2-(4-bromophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine (CID 171367238) is 5-benzyl-2-(4-bromophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 5-benzyl-2-(4-bromophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 5-benzyl-2-(4-bromophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine is Brc1ccc(-c2cc3n(n2)CCN(Cc2ccccc2)C3)cc1.
What is the InChIKey of 5-benzyl-2-(4-bromophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The InChIKey is CZMJBJKOTLHQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3/c20-17-8-6-16(7-9-17)19-12-18-14-22(10-11-23(18)21-19)13-15-4-2-1-3-5-15/h1-9,12H,10-11,13-14H2.
What are the key properties of 5-benzyl-2-(4-bromophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
5-benzyl-2-(4-bromophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine has a molecular weight of 368.28 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-(4-bromophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 171367238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).