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

C17H16N4 — CID 3952494

IUPAC1-(4-methylphenyl)-3-pyridin-3-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
SMILESCc1ccc(-n2nc(-c3cccnc3)c3c2NCC3)cc1
InChIInChI=1S/C17H16N4/c1-12-4-6-14(7-5-12)21-17-15(8-10-19-17)16(20-21)13-3-2-9-18-11-13/h2-7,9,11,19H,8,10H2,1H3
InChIKeyGISDEQQMTHVOGG-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.21
Rot. Bonds2

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

1-(4-methylphenyl)-3-pyridin-3-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole (PubChem CID 3952494) has the molecular formula C17H16N4 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-pyridin-3-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-pyridin-3-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
PubChem CID3952494
Molecular FormulaC17H16N4
Molecular Weight276.34 g/mol
Exact Mass276.14
IUPAC Name1-(4-methylphenyl)-3-pyridin-3-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
SMILESCc1ccc(-n2nc(-c3cccnc3)c3c2NCC3)cc1
InChIInChI=1S/C17H16N4/c1-12-4-6-14(7-5-12)21-17-15(8-10-19-17)16(20-21)13-3-2-9-18-11-13/h2-7,9,11,19H,8,10H2,1H3
InChIKeyGISDEQQMTHVOGG-UHFFFAOYSA-N
XLogP3.21
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-3-pyridin-3-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 4590575
1-(4-methylphenyl)-3-naphthalen-2-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 4533947
1-methyl-3-pyridin-3-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 4561761
1-(4-chlorophenyl)-3-(4-phenylphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 3887534
1,3-bis(3-methylphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 4539869
3-(5-bromothiophen-2-yl)-1-(4-methylphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 4264877
1-(3,4-dichlorophenyl)-3-(3-methylphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 3663958
1-(3-chlorophenyl)-3-pyridin-3-yl-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
CID 4572183
1-(4-iodophenyl)-3-pyridin-4-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 5198325
3-(3-bromophenyl)-1-(4-bromophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 4216565
1-(4-methylphenyl)-3-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 3931728
1-(4-methylphenyl)-3-propyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
CID 5134977

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-pyridin-3-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole?
The IUPAC name of 1-(4-methylphenyl)-3-pyridin-3-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole (CID 3952494) is 1-(4-methylphenyl)-3-pyridin-3-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole.
What is the SMILES notation for 1-(4-methylphenyl)-3-pyridin-3-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole?
The canonical SMILES for 1-(4-methylphenyl)-3-pyridin-3-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole is Cc1ccc(-n2nc(-c3cccnc3)c3c2NCC3)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-pyridin-3-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole?
The InChIKey is GISDEQQMTHVOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4/c1-12-4-6-14(7-5-12)21-17-15(8-10-19-17)16(20-21)13-3-2-9-18-11-13/h2-7,9,11,19H,8,10H2,1H3.
What are the key properties of 1-(4-methylphenyl)-3-pyridin-3-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole?
1-(4-methylphenyl)-3-pyridin-3-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole has a molecular weight of 276.34 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-pyridin-3-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole is sourced from PubChem (CID 3952494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).