3-(5-bromo-2-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole-1-carboxamide

C13H13BrN4O2 — CID 4018025

IUPAC3-(5-bromo-2-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole-1-carboxamide
SMILESCOc1ccc(Br)cc1-c1nn(C(N)=O)c2c1CCN2
InChIInChI=1S/C13H13BrN4O2/c1-20-10-3-2-7(14)6-9(10)11-8-4-5-16-12(8)18(17-11)13(15)19/h2-3,6,16H,4-5H2,1H3,(H2,15,19)
InChIKeyIPIHKSCVIAVXML-UHFFFAOYSA-N
MW337.18 g/mol
LogP2.22
Rot. Bonds2

About 3-(5-bromo-2-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole-1-carboxamide

3-(5-bromo-2-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole-1-carboxamide (PubChem CID 4018025) has the molecular formula C13H13BrN4O2 and a molecular weight of 337.18 g/mol. Its IUPAC name is 3-(5-bromo-2-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole-1-carboxamide.

Molecular Properties

Compound Name3-(5-bromo-2-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole-1-carboxamide
PubChem CID4018025
Molecular FormulaC13H13BrN4O2
Molecular Weight337.18 g/mol
Exact Mass336.02
IUPAC Name3-(5-bromo-2-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole-1-carboxamide
SMILESCOc1ccc(Br)cc1-c1nn(C(N)=O)c2c1CCN2
InChIInChI=1S/C13H13BrN4O2/c1-20-10-3-2-7(14)6-9(10)11-8-4-5-16-12(8)18(17-11)13(15)19/h2-3,6,16H,4-5H2,1H3,(H2,15,19)
InChIKeyIPIHKSCVIAVXML-UHFFFAOYSA-N
XLogP2.22
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.18
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,4,5-trimethoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole-1-carboxamide
CID 3956584
3-(5-bromo-2-methoxyphenyl)-1-(3-bromophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 3908094
3-(5-bromo-2-methoxyphenyl)-1-(4-iodophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 3249859
3-(5-bromo-2-methoxyphenyl)-1-(5-chloro-2-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 3576181
3-(5-bromo-2-methoxyphenyl)-1-(2-fluorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 3486602
3-(2,5-dimethoxyphenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine-1-carbothioamide
CID 3880317
3-(5-chlorothiophen-2-yl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole-1-carboxamide
CID 3323546
3-(2,5-dimethoxyphenyl)-1-(3,4-dimethylphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 3897588
3-naphthalen-1-yl-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine-1-carboxamide
CID 4530775
3-(2,5-dimethoxyphenyl)-1-(2,4-dimethylphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 3424235
3-(5-chloro-2-methoxyphenyl)-1-(3,5-dichlorophenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
CID 3553129
1-(2,4-dichlorophenyl)-3-(2-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 3979622

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole-1-carboxamide?
The IUPAC name of 3-(5-bromo-2-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole-1-carboxamide (CID 4018025) is 3-(5-bromo-2-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole-1-carboxamide.
What is the SMILES notation for 3-(5-bromo-2-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole-1-carboxamide?
The canonical SMILES for 3-(5-bromo-2-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole-1-carboxamide is COc1ccc(Br)cc1-c1nn(C(N)=O)c2c1CCN2.
What is the InChIKey of 3-(5-bromo-2-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole-1-carboxamide?
The InChIKey is IPIHKSCVIAVXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN4O2/c1-20-10-3-2-7(14)6-9(10)11-8-4-5-16-12(8)18(17-11)13(15)19/h2-3,6,16H,4-5H2,1H3,(H2,15,19).
What are the key properties of 3-(5-bromo-2-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole-1-carboxamide?
3-(5-bromo-2-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole-1-carboxamide has a molecular weight of 337.18 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole-1-carboxamide is sourced from PubChem (CID 4018025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).