[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-(7-methyl-2,3-dihydroindol-1-yl)methanone

C20H18ClN3O — CID 112835745

IUPAC[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-(7-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCc1cccc2c1N(C(=O)c1cnn(Cc3ccccc3Cl)c1)CC2
InChIInChI=1S/C20H18ClN3O/c1-14-5-4-7-15-9-10-24(19(14)15)20(25)17-11-22-23(13-17)12-16-6-2-3-8-18(16)21/h2-8,11,13H,9-10,12H2,1H3
InChIKeyZZMQDTIGCXQWLX-UHFFFAOYSA-N
MW351.84 g/mol
LogP4.10
Rot. Bonds3

About [1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-(7-methyl-2,3-dihydroindol-1-yl)methanone

[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-(7-methyl-2,3-dihydroindol-1-yl)methanone (PubChem CID 112835745) has the molecular formula C20H18ClN3O and a molecular weight of 351.84 g/mol. Its IUPAC name is [1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-(7-methyl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-(7-methyl-2,3-dihydroindol-1-yl)methanone
PubChem CID112835745
Molecular FormulaC20H18ClN3O
Molecular Weight351.84 g/mol
Exact Mass351.11
IUPAC Name[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-(7-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCc1cccc2c1N(C(=O)c1cnn(Cc3ccccc3Cl)c1)CC2
InChIInChI=1S/C20H18ClN3O/c1-14-5-4-7-15-9-10-24(19(14)15)20(25)17-11-22-23(13-17)12-16-6-2-3-8-18(16)21/h2-8,11,13H,9-10,12H2,1H3
InChIKeyZZMQDTIGCXQWLX-UHFFFAOYSA-N
XLogP4.10
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.84
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-(4-methylsulfonylpiperazin-1-yl)methanone
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N-[1-[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]piperidin-4-yl]-2-methylbenzamide
CID 39511123
ethyl 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate
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[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-(3-methylpiperazin-1-yl)methanone
CID 154759833
[4-[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]piperazin-1-yl]-(furan-3-yl)methanone
CID 32534053
(4-aminopiperidin-1-yl)-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]methanone;hydrochloride
CID 119376171
[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-[2-(4-methylphenyl)pyrrolidin-1-yl]methanone
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2-[4-[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide
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[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-(2,2-dimethylmorpholin-4-yl)methanone
CID 56812361
[1-(3-chlorophenyl)pyrazol-4-yl]-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
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[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-[4-(cyclopropylmethyl)piperazin-1-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of [1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-(7-methyl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-(7-methyl-2,3-dihydroindol-1-yl)methanone (CID 112835745) is [1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-(7-methyl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-(7-methyl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-(7-methyl-2,3-dihydroindol-1-yl)methanone is Cc1cccc2c1N(C(=O)c1cnn(Cc3ccccc3Cl)c1)CC2.
What is the InChIKey of [1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-(7-methyl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is ZZMQDTIGCXQWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O/c1-14-5-4-7-15-9-10-24(19(14)15)20(25)17-11-22-23(13-17)12-16-6-2-3-8-18(16)21/h2-8,11,13H,9-10,12H2,1H3.
What are the key properties of [1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-(7-methyl-2,3-dihydroindol-1-yl)methanone?
[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-(7-methyl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 351.84 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-(7-methyl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 112835745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).