2,3-dihydroindol-1-yl-(4-methoxy-1-phenylpyrazol-3-yl)methanone

C19H17N3O2 — CID 16618646

IUPAC2,3-dihydroindol-1-yl-(4-methoxy-1-phenylpyrazol-3-yl)methanone
SMILESCOc1cn(-c2ccccc2)nc1C(=O)N1CCc2ccccc21
InChIInChI=1S/C19H17N3O2/c1-24-17-13-22(15-8-3-2-4-9-15)20-18(17)19(23)21-12-11-14-7-5-6-10-16(14)21/h2-10,13H,11-12H2,1H3
InChIKeyCVODLMJWSKMWOL-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.08
Rot. Bonds3

About 2,3-dihydroindol-1-yl-(4-methoxy-1-phenylpyrazol-3-yl)methanone

2,3-dihydroindol-1-yl-(4-methoxy-1-phenylpyrazol-3-yl)methanone (PubChem CID 16618646) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-(4-methoxy-1-phenylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-(4-methoxy-1-phenylpyrazol-3-yl)methanone
PubChem CID16618646
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name2,3-dihydroindol-1-yl-(4-methoxy-1-phenylpyrazol-3-yl)methanone
SMILESCOc1cn(-c2ccccc2)nc1C(=O)N1CCc2ccccc21
InChIInChI=1S/C19H17N3O2/c1-24-17-13-22(15-8-3-2-4-9-15)20-18(17)19(23)21-12-11-14-7-5-6-10-16(14)21/h2-10,13H,11-12H2,1H3
InChIKeyCVODLMJWSKMWOL-UHFFFAOYSA-N
XLogP3.08
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N,1-diphenylpyrazole-3-carboxamide
CID 7992430
4-methoxy-N-[(4-methylphenyl)methyl]-1-phenylpyrazole-3-carboxamide
CID 7581178
N-benzyl-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 7992482
4-methoxy-N-(4-methylphenyl)-1-phenylpyrazole-3-carboxamide
CID 9534923
(4-ethoxy-1-(4-fluorophenyl)-1H-pyrazol-3-yl)(2-methylindolin-1-yl)methanone
CID 44062379
4-ethoxy-1-(4-fluorophenyl)-N-(2-methylcyclohexyl)-1H-pyrazole-3-carboxamide
CID 45283985
N-(4-fluoro-2-methylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 8378271
4-methoxy-N-(2-methylpropyl)-1-phenylpyrazole-3-carboxamide
CID 18106024
1-(2-fluorophenyl)-4-[1-(4-fluorophenyl)-4-methoxy-1H-pyrazole-3-carbonyl]piperazine
CID 25284333
N-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)-4-methoxy-1H-pyrazole-3-carboxamide
CID 25284348
N-[4-(diethylamino)-2-methylphenyl]-1-(4-fluorophenyl)-4-methoxy-1H-pyrazole-3-carboxamide
CID 25284377
N-(2,6-difluorobenzyl)-1-(4-fluorophenyl)-4-methoxy-1H-pyrazole-3-carboxamide
CID 42109692

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-(4-methoxy-1-phenylpyrazol-3-yl)methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-(4-methoxy-1-phenylpyrazol-3-yl)methanone (CID 16618646) is 2,3-dihydroindol-1-yl-(4-methoxy-1-phenylpyrazol-3-yl)methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-(4-methoxy-1-phenylpyrazol-3-yl)methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-(4-methoxy-1-phenylpyrazol-3-yl)methanone is COc1cn(-c2ccccc2)nc1C(=O)N1CCc2ccccc21.
What is the InChIKey of 2,3-dihydroindol-1-yl-(4-methoxy-1-phenylpyrazol-3-yl)methanone?
The InChIKey is CVODLMJWSKMWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-24-17-13-22(15-8-3-2-4-9-15)20-18(17)19(23)21-12-11-14-7-5-6-10-16(14)21/h2-10,13H,11-12H2,1H3.
What are the key properties of 2,3-dihydroindol-1-yl-(4-methoxy-1-phenylpyrazol-3-yl)methanone?
2,3-dihydroindol-1-yl-(4-methoxy-1-phenylpyrazol-3-yl)methanone has a molecular weight of 319.36 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-(4-methoxy-1-phenylpyrazol-3-yl)methanone is sourced from PubChem (CID 16618646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).