1-(2-ethylphenyl)-3-pyrazin-2-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole

C17H17N5 — CID 3887536

IUPAC1-(2-ethylphenyl)-3-pyrazin-2-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
SMILESCCc1ccccc1-n1nc(-c2cnccn2)c2c1NCC2
InChIInChI=1S/C17H17N5/c1-2-12-5-3-4-6-15(12)22-17-13(7-8-20-17)16(21-22)14-11-18-9-10-19-14/h3-6,9-11,20H,2,7-8H2,1H3
InChIKeyXHDYCMGBDFAMKE-UHFFFAOYSA-N
MW291.36 g/mol
LogP2.86
Rot. Bonds3

About 1-(2-ethylphenyl)-3-pyrazin-2-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole

1-(2-ethylphenyl)-3-pyrazin-2-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole (PubChem CID 3887536) has the molecular formula C17H17N5 and a molecular weight of 291.36 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-3-pyrazin-2-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole.

Molecular Properties

Compound Name1-(2-ethylphenyl)-3-pyrazin-2-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
PubChem CID3887536
Molecular FormulaC17H17N5
Molecular Weight291.36 g/mol
Exact Mass291.15
IUPAC Name1-(2-ethylphenyl)-3-pyrazin-2-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
SMILESCCc1ccccc1-n1nc(-c2cnccn2)c2c1NCC2
InChIInChI=1S/C17H17N5/c1-2-12-5-3-4-6-15(12)22-17-13(7-8-20-17)16(21-22)14-11-18-9-10-19-14/h3-6,9-11,20H,2,7-8H2,1H3
InChIKeyXHDYCMGBDFAMKE-UHFFFAOYSA-N
XLogP2.86
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,4-dichlorophenyl)-1-(2-ethylphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 5004042
1-(4-fluorophenyl)-3-pyrazin-2-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 3258348
3-(2,3-dimethoxyphenyl)-1-(2-ethylphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 3663955
1-(2-ethylphenyl)-3-(methoxymethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
CID 3685892
1-(3,4-dimethylphenyl)-3-pyrazin-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
CID 3916181
1-(3,5-dichlorophenyl)-3-pyrazin-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
CID 4014803
1-(2-ethylphenyl)-3-[(2-methoxyphenyl)methyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
CID 3984726
1-(3-chloro-4-methylphenyl)-3-pyrazin-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
CID 4575507
1-(2-ethylphenyl)-3-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
CID 4312974
1-(2,4-dimethylphenyl)-3-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 4266960
1-(2-ethoxyphenyl)-3-(4-phenylphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 3488502
1-(2-fluorophenyl)-3-pyridin-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
CID 4682152

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-3-pyrazin-2-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole?
The IUPAC name of 1-(2-ethylphenyl)-3-pyrazin-2-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole (CID 3887536) is 1-(2-ethylphenyl)-3-pyrazin-2-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole.
What is the SMILES notation for 1-(2-ethylphenyl)-3-pyrazin-2-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole?
The canonical SMILES for 1-(2-ethylphenyl)-3-pyrazin-2-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole is CCc1ccccc1-n1nc(-c2cnccn2)c2c1NCC2.
What is the InChIKey of 1-(2-ethylphenyl)-3-pyrazin-2-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole?
The InChIKey is XHDYCMGBDFAMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5/c1-2-12-5-3-4-6-15(12)22-17-13(7-8-20-17)16(21-22)14-11-18-9-10-19-14/h3-6,9-11,20H,2,7-8H2,1H3.
What are the key properties of 1-(2-ethylphenyl)-3-pyrazin-2-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole?
1-(2-ethylphenyl)-3-pyrazin-2-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole has a molecular weight of 291.36 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-3-pyrazin-2-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole is sourced from PubChem (CID 3887536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).