5-propan-2-yl-2-pyridin-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazole

C13H16N4 — CID 176692287

IUPAC5-propan-2-yl-2-pyridin-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazole
SMILESCC(C)N1Cc2cn(-c3ccccn3)nc2C1
InChIInChI=1S/C13H16N4/c1-10(2)16-7-11-8-17(15-12(11)9-16)13-5-3-4-6-14-13/h3-6,8,10H,7,9H2,1-2H3
InChIKeyQINROMQUSKFNSC-UHFFFAOYSA-N
MW228.30 g/mol
LogP1.99
Rot. Bonds2

About 5-propan-2-yl-2-pyridin-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazole

5-propan-2-yl-2-pyridin-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazole (PubChem CID 176692287) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 5-propan-2-yl-2-pyridin-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazole.

Molecular Properties

Compound Name5-propan-2-yl-2-pyridin-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazole
PubChem CID176692287
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name5-propan-2-yl-2-pyridin-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazole
SMILESCC(C)N1Cc2cn(-c3ccccn3)nc2C1
InChIInChI=1S/C13H16N4/c1-10(2)16-7-11-8-17(15-12(11)9-16)13-5-3-4-6-14-13/h3-6,8,10H,7,9H2,1-2H3
InChIKeyQINROMQUSKFNSC-UHFFFAOYSA-N
XLogP1.99
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
CID 96626310
6-[(3,5-difluorophenyl)methyl]-2-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine
CID 167377706
2-(4-propan-2-ylpyrazol-1-yl)pyridine
CID 58142776
2-(2-pyridin-2-yl-4,5,6,7-tetrahydroindazol-5-yl)-3,4-dihydro-1H-isoquinoline
CID 175774600
4-(4-methyl-1-pyridin-2-ylpyrazol-3-yl)morpholine
CID 142590881
2-pyridin-2-ylindazole
CID 58814039
3-fluoro-6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine
CID 176961013
2-(3,4-ditert-butylpyrazol-1-yl)pyridine
CID 164762760
1-(3-morpholin-4-yl-1-pyridin-2-ylpyrazol-4-yl)ethanone
CID 157391037
2-(tetrazol-1-yl)pyridine
CID 11679840
N-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)propan-1-amine
CID 62423144
5-propan-2-yl-2-pyridin-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
CID 169145464

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-2-pyridin-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazole?
The IUPAC name of 5-propan-2-yl-2-pyridin-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazole (CID 176692287) is 5-propan-2-yl-2-pyridin-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazole.
What is the SMILES notation for 5-propan-2-yl-2-pyridin-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazole?
The canonical SMILES for 5-propan-2-yl-2-pyridin-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazole is CC(C)N1Cc2cn(-c3ccccn3)nc2C1.
What is the InChIKey of 5-propan-2-yl-2-pyridin-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazole?
The InChIKey is QINROMQUSKFNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-10(2)16-7-11-8-17(15-12(11)9-16)13-5-3-4-6-14-13/h3-6,8,10H,7,9H2,1-2H3.
What are the key properties of 5-propan-2-yl-2-pyridin-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazole?
5-propan-2-yl-2-pyridin-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazole has a molecular weight of 228.30 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-2-pyridin-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazole is sourced from PubChem (CID 176692287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).