3-cyclopentyl-1-[3-(2-methylphenyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl]propan-1-one

C20H25N3O — CID 10064800

IUPAC3-cyclopentyl-1-[3-(2-methylphenyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl]propan-1-one
SMILESCc1ccccc1-c1n[nH]c2c1CN(C(=O)CCC1CCCC1)C2
InChIInChI=1S/C20H25N3O/c1-14-6-2-5-9-16(14)20-17-12-23(13-18(17)21-22-20)19(24)11-10-15-7-3-4-8-15/h2,5-6,9,15H,3-4,7-8,10-13H2,1H3,(H,21,22)
InChIKeyOYPSEAORZHTZEY-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.20
Rot. Bonds4

About 3-cyclopentyl-1-[3-(2-methylphenyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl]propan-1-one

3-cyclopentyl-1-[3-(2-methylphenyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl]propan-1-one (PubChem CID 10064800) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 3-cyclopentyl-1-[3-(2-methylphenyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclopentyl-1-[3-(2-methylphenyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl]propan-1-one
PubChem CID10064800
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name3-cyclopentyl-1-[3-(2-methylphenyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl]propan-1-one
SMILESCc1ccccc1-c1n[nH]c2c1CN(C(=O)CCC1CCCC1)C2
InChIInChI=1S/C20H25N3O/c1-14-6-2-5-9-16(14)20-17-12-23(13-18(17)21-22-20)19(24)11-10-15-7-3-4-8-15/h2,5-6,9,15H,3-4,7-8,10-13H2,1H3,(H,21,22)
InChIKeyOYPSEAORZHTZEY-UHFFFAOYSA-N
XLogP4.20
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 121060046
3-cyclopentyl-1-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propan-1-one
CID 134021008
3-cyclopentyl-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one
CID 164688938
3-cyclohexyl-1-[2-(4-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]propan-1-one
CID 90501477
3-cyclohexyl-1-[7-(2-methylphenyl)-1,4-thiazepan-4-yl]propan-1-one
CID 121163705
3-cyclopentyl-1-[4-(4-ethylpiperazin-1-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one
CID 5040875
2-(2-chlorophenyl)-1-[3-(2-methylphenyl)-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl]ethanone;2,2,2-trifluoroacetic acid
CID 155868130
1-(4-benzyl-1,4-diazepan-1-yl)-3-cyclopentylpropan-1-one
CID 23768554
3-cyclopentyl-1-[4-(3-cyclopentylpropanoyl)-1,4-diazepan-1-yl]propan-1-one
CID 5202328
2-amino-1-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 56750876
3-cyclohexyl-1-[4-(4-phenylbenzoyl)-1,4-diazepan-1-yl]propan-1-one
CID 108544297
1-[2-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-oxoethyl]pyrrolidin-2-one
CID 25287605

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-[3-(2-methylphenyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl]propan-1-one?
The IUPAC name of 3-cyclopentyl-1-[3-(2-methylphenyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl]propan-1-one (CID 10064800) is 3-cyclopentyl-1-[3-(2-methylphenyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl]propan-1-one.
What is the SMILES notation for 3-cyclopentyl-1-[3-(2-methylphenyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl]propan-1-one?
The canonical SMILES for 3-cyclopentyl-1-[3-(2-methylphenyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl]propan-1-one is Cc1ccccc1-c1n[nH]c2c1CN(C(=O)CCC1CCCC1)C2.
What is the InChIKey of 3-cyclopentyl-1-[3-(2-methylphenyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl]propan-1-one?
The InChIKey is OYPSEAORZHTZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-14-6-2-5-9-16(14)20-17-12-23(13-18(17)21-22-20)19(24)11-10-15-7-3-4-8-15/h2,5-6,9,15H,3-4,7-8,10-13H2,1H3,(H,21,22).
What are the key properties of 3-cyclopentyl-1-[3-(2-methylphenyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl]propan-1-one?
3-cyclopentyl-1-[3-(2-methylphenyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl]propan-1-one has a molecular weight of 323.44 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-[3-(2-methylphenyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl]propan-1-one is sourced from PubChem (CID 10064800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).