N-(5-methyl-2-oxooxolan-3-yl)-1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

C19H21N3O3 — CID 122158278

IUPACN-(5-methyl-2-oxooxolan-3-yl)-1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCc1ccccc1-n1nc(C(=O)NC2CC(C)OC2=O)c2c1CCC2
InChIInChI=1S/C19H21N3O3/c1-11-6-3-4-8-15(11)22-16-9-5-7-13(16)17(21-22)18(23)20-14-10-12(2)25-19(14)24/h3-4,6,8,12,14H,5,7,9-10H2,1-2H3,(H,20,23)
InChIKeyMRSLUDVIQSEFKU-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.10
Rot. Bonds3

About N-(5-methyl-2-oxooxolan-3-yl)-1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

N-(5-methyl-2-oxooxolan-3-yl)-1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (PubChem CID 122158278) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-(5-methyl-2-oxooxolan-3-yl)-1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-2-oxooxolan-3-yl)-1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
PubChem CID122158278
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC NameN-(5-methyl-2-oxooxolan-3-yl)-1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCc1ccccc1-n1nc(C(=O)NC2CC(C)OC2=O)c2c1CCC2
InChIInChI=1S/C19H21N3O3/c1-11-6-3-4-8-15(11)22-16-9-5-7-13(16)17(21-22)18(23)20-14-10-12(2)25-19(14)24/h3-4,6,8,12,14H,5,7,9-10H2,1-2H3,(H,20,23)
InChIKeyMRSLUDVIQSEFKU-UHFFFAOYSA-N
XLogP2.10
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 119229458
N-(1-cyclopropylpiperidin-4-yl)-1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 48673792
1-(2-methylphenyl)-N-piperidin-3-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride
CID 119428503
N-[[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]formamide
CID 125419556
(2R)-3-methyl-2-[[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]butanoic acid
CID 119368106
N-(3-aminopropyl)-1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride
CID 119408402
N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 126818881
N-[(4-methyl-1,3-oxazol-5-yl)methyl]-1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 122158695
2-[[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]-2-(oxan-3-yl)acetic acid
CID 120547493
(3-hydroxyazetidin-1-yl)-[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone
CID 71920014
6-[[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]hexanoic acid
CID 119219866
2,5-dihydropyrrol-1-yl-[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone
CID 126827969

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-oxooxolan-3-yl)-1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-(5-methyl-2-oxooxolan-3-yl)-1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (CID 122158278) is N-(5-methyl-2-oxooxolan-3-yl)-1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-(5-methyl-2-oxooxolan-3-yl)-1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-(5-methyl-2-oxooxolan-3-yl)-1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is Cc1ccccc1-n1nc(C(=O)NC2CC(C)OC2=O)c2c1CCC2.
What is the InChIKey of N-(5-methyl-2-oxooxolan-3-yl)-1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is MRSLUDVIQSEFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-11-6-3-4-8-15(11)22-16-9-5-7-13(16)17(21-22)18(23)20-14-10-12(2)25-19(14)24/h3-4,6,8,12,14H,5,7,9-10H2,1-2H3,(H,20,23).
What are the key properties of N-(5-methyl-2-oxooxolan-3-yl)-1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
N-(5-methyl-2-oxooxolan-3-yl)-1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-oxooxolan-3-yl)-1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 122158278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).