5-[(3-amino-5-bromophenyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one

C14H13BrN4O — CID 103350211

IUPAC5-[(3-amino-5-bromophenyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one
SMILESCc1cc2c(=O)n(Cc3cc(N)cc(Br)c3)ccn2n1
InChIInChI=1S/C14H13BrN4O/c1-9-4-13-14(20)18(2-3-19(13)17-9)8-10-5-11(15)7-12(16)6-10/h2-7H,8,16H2,1H3
InChIKeyYDEKOUHGYWVMFC-UHFFFAOYSA-N
MW333.19 g/mol
LogP2.20
Rot. Bonds2

About 5-[(3-amino-5-bromophenyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one

5-[(3-amino-5-bromophenyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one (PubChem CID 103350211) has the molecular formula C14H13BrN4O and a molecular weight of 333.19 g/mol. Its IUPAC name is 5-[(3-amino-5-bromophenyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-[(3-amino-5-bromophenyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one
PubChem CID103350211
Molecular FormulaC14H13BrN4O
Molecular Weight333.19 g/mol
Exact Mass332.03
IUPAC Name5-[(3-amino-5-bromophenyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one
SMILESCc1cc2c(=O)n(Cc3cc(N)cc(Br)c3)ccn2n1
InChIInChI=1S/C14H13BrN4O/c1-9-4-13-14(20)18(2-3-19(13)17-9)8-10-5-11(15)7-12(16)6-10/h2-7H,8,16H2,1H3
InChIKeyYDEKOUHGYWVMFC-UHFFFAOYSA-N
XLogP2.20
TPSA65.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.19
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-[(3-amino-5-methoxyphenyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 104734509
5-[(4-bromophenyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 113446776
5-[(2-amino-4-pyridinyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 104735319
5-[(6-chloro-3-pyridinyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 104734892
5-[(2-amino-1,3-thiazol-4-yl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 104735002
5-(2-aminopropyl)-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 104734809
5-[[3-(aminomethyl)-4-fluorophenyl]methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 107878865
5-(3-azidopropyl)-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 104735171
5-(5-chloropentyl)-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 104734713
5-[(2-hydrazinyl-3-pyridinyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 113446794
3-bromo-5-[(6-methylindol-1-yl)methyl]aniline
CID 103350079
5-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 113446741

Frequently Asked Questions

What is the IUPAC name of 5-[(3-amino-5-bromophenyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-[(3-amino-5-bromophenyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one (CID 103350211) is 5-[(3-amino-5-bromophenyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-[(3-amino-5-bromophenyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-[(3-amino-5-bromophenyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one is Cc1cc2c(=O)n(Cc3cc(N)cc(Br)c3)ccn2n1.
What is the InChIKey of 5-[(3-amino-5-bromophenyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is YDEKOUHGYWVMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN4O/c1-9-4-13-14(20)18(2-3-19(13)17-9)8-10-5-11(15)7-12(16)6-10/h2-7H,8,16H2,1H3.
What are the key properties of 5-[(3-amino-5-bromophenyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one?
5-[(3-amino-5-bromophenyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 333.19 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-amino-5-bromophenyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 103350211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).