N-benzyl-N-ethyl-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

C17H21N3O — CID 110389010

IUPACN-benzyl-N-ethyl-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1nn(C)c2c1CCC2
InChIInChI=1S/C17H21N3O/c1-3-20(12-13-8-5-4-6-9-13)17(21)16-14-10-7-11-15(14)19(2)18-16/h4-6,8-9H,3,7,10-12H2,1-2H3
InChIKeyPMODXSJNJHKRAQ-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.57
Rot. Bonds4

About N-benzyl-N-ethyl-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

N-benzyl-N-ethyl-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (PubChem CID 110389010) has the molecular formula C17H21N3O and a molecular weight of 283.37 g/mol. Its IUPAC name is N-benzyl-N-ethyl-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
PubChem CID110389010
Molecular FormulaC17H21N3O
Molecular Weight283.37 g/mol
Exact Mass283.17
IUPAC NameN-benzyl-N-ethyl-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1nn(C)c2c1CCC2
InChIInChI=1S/C17H21N3O/c1-3-20(12-13-8-5-4-6-9-13)17(21)16-14-10-7-11-15(14)19(2)18-16/h4-6,8-9H,3,7,10-12H2,1-2H3
InChIKeyPMODXSJNJHKRAQ-UHFFFAOYSA-N
XLogP2.57
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,1-dimethyl-N-[(6-oxo-1H-pyridin-2-yl)methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 136566796
N-benzyl-5-(dimethylamino)-N,1-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45162365
N-benzyl-5-hydroxy-N,1-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 131952523
N-benzyl-5-(cyclopropylamino)-N,1-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45164837
N-cyclohexyl-1-methyl-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 74232119
N-[(4-fluorophenyl)methyl]-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 110389004
(5S)-N-benzyl-5-(3-ethoxypropylamino)-N,1-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 26143065
1-N-benzyl-3-N-butyl-1-N-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073493
N-benzyl-N-ethyl-2-methyltriazole-4-carboxamide
CID 110691383
N-benzyl-N-ethyl-1,3-dimethylpyrazole-4-carboxamide
CID 45285247
1-methyl-N-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 110389064
N-benzyl-N-ethyl-4-(2-oxopyrrolidin-1-yl)benzamide
CID 110295271

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-benzyl-N-ethyl-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (CID 110389010) is N-benzyl-N-ethyl-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-benzyl-N-ethyl-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-benzyl-N-ethyl-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is CCN(Cc1ccccc1)C(=O)c1nn(C)c2c1CCC2.
What is the InChIKey of N-benzyl-N-ethyl-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is PMODXSJNJHKRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-3-20(12-13-8-5-4-6-9-13)17(21)16-14-10-7-11-15(14)19(2)18-16/h4-6,8-9H,3,7,10-12H2,1-2H3.
What are the key properties of N-benzyl-N-ethyl-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
N-benzyl-N-ethyl-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 283.37 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 110389010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).