N-(1-acetyl-2,3-dihydroindol-5-yl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

C23H22N4O2 — CID 24587001

IUPACN-(1-acetyl-2,3-dihydroindol-5-yl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCC(=O)N1CCc2cc(NC(=O)c3nn(-c4ccccc4)c4c3CCC4)ccc21
InChIInChI=1S/C23H22N4O2/c1-15(28)26-13-12-16-14-17(10-11-20(16)26)24-23(29)22-19-8-5-9-21(19)27(25-22)18-6-3-2-4-7-18/h2-4,6-7,10-11,14H,5,8-9,12-13H2,1H3,(H,24,29)
InChIKeyVQQIXRRURRDOGB-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.52
Rot. Bonds3

About N-(1-acetyl-2,3-dihydroindol-5-yl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

N-(1-acetyl-2,3-dihydroindol-5-yl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (PubChem CID 24587001) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is N-(1-acetyl-2,3-dihydroindol-5-yl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-acetyl-2,3-dihydroindol-5-yl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
PubChem CID24587001
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC NameN-(1-acetyl-2,3-dihydroindol-5-yl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCC(=O)N1CCc2cc(NC(=O)c3nn(-c4ccccc4)c4c3CCC4)ccc21
InChIInChI=1S/C23H22N4O2/c1-15(28)26-13-12-16-14-17(10-11-20(16)26)24-23(29)22-19-8-5-9-21(19)27(25-22)18-6-3-2-4-7-18/h2-4,6-7,10-11,14H,5,8-9,12-13H2,1H3,(H,24,29)
InChIKeyVQQIXRRURRDOGB-UHFFFAOYSA-N
XLogP3.52
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-acetyl-2,3-dihydroindol-5-yl)-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 39964656
N-[3-(carbamoylamino)phenyl]-1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 55824157
(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methanone
CID 55490174
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 25443984
N-[3-[(2-methoxyacetyl)amino]phenyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 46585012
N-(1-acetyl-2,3-dihydroindol-5-yl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 26706083
N-(4-fluoro-2-methylphenyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 24586962
N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 167802741
N-(1-acetyl-2,3-dihydroindol-5-yl)quinoline-2-carboxamide
CID 17453567
5-benzamido-2,3-dihydroindole-1-carboxylic acid
CID 23147979
N'-benzoyl-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide
CID 46682483
(5-nitro-2,3-dihydroindol-1-yl)-(1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-3-yl)methanone
CID 55772974

Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (CID 24587001) is N-(1-acetyl-2,3-dihydroindol-5-yl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-(1-acetyl-2,3-dihydroindol-5-yl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-(1-acetyl-2,3-dihydroindol-5-yl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is CC(=O)N1CCc2cc(NC(=O)c3nn(-c4ccccc4)c4c3CCC4)ccc21.
What is the InChIKey of N-(1-acetyl-2,3-dihydroindol-5-yl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is VQQIXRRURRDOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-15(28)26-13-12-16-14-17(10-11-20(16)26)24-23(29)22-19-8-5-9-21(19)27(25-22)18-6-3-2-4-7-18/h2-4,6-7,10-11,14H,5,8-9,12-13H2,1H3,(H,24,29).
What are the key properties of N-(1-acetyl-2,3-dihydroindol-5-yl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
N-(1-acetyl-2,3-dihydroindol-5-yl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 386.46 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-2,3-dihydroindol-5-yl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 24587001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).