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

C19H16ClN3O — CID 112835848

IUPAC[1-(4-chlorophenyl)pyrazol-4-yl]-(7-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCc1cccc2c1N(C(=O)c1cnn(-c3ccc(Cl)cc3)c1)CC2
InChIInChI=1S/C19H16ClN3O/c1-13-3-2-4-14-9-10-22(18(13)14)19(24)15-11-21-23(12-15)17-7-5-16(20)6-8-17/h2-8,11-12H,9-10H2,1H3
InChIKeyYFSAEMZSZZJRAU-UHFFFAOYSA-N
MW337.81 g/mol
LogP4.04
Rot. Bonds2

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

[1-(4-chlorophenyl)pyrazol-4-yl]-(7-methyl-2,3-dihydroindol-1-yl)methanone (PubChem CID 112835848) has the molecular formula C19H16ClN3O and a molecular weight of 337.81 g/mol. Its IUPAC name is [1-(4-chlorophenyl)pyrazol-4-yl]-(7-methyl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[1-(4-chlorophenyl)pyrazol-4-yl]-(7-methyl-2,3-dihydroindol-1-yl)methanone
PubChem CID112835848
Molecular FormulaC19H16ClN3O
Molecular Weight337.81 g/mol
Exact Mass337.10
IUPAC Name[1-(4-chlorophenyl)pyrazol-4-yl]-(7-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCc1cccc2c1N(C(=O)c1cnn(-c3ccc(Cl)cc3)c1)CC2
InChIInChI=1S/C19H16ClN3O/c1-13-3-2-4-14-9-10-22(18(13)14)19(24)15-11-21-23(12-15)17-7-5-16(20)6-8-17/h2-8,11-12H,9-10H2,1H3
InChIKeyYFSAEMZSZZJRAU-UHFFFAOYSA-N
XLogP4.04
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-chlorophenyl)pyrazol-4-yl]-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 55872122
[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-(7-methyl-2,3-dihydroindol-1-yl)methanone
CID 112835745
(7-methyl-2,3-dihydroindol-1-yl)-naphthalen-2-ylmethanone
CID 112835715
(7-methyl-2,3-dihydroindol-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 112835706
1-[4-[4-[1-(4-chlorophenyl)pyrazole-4-carbonyl]piperazin-1-yl]phenyl]ethanone
CID 55770613
methyl 1-[1-(4-chlorophenyl)pyrazole-4-carbonyl]-3,4-dihydro-2H-quinoline-4-carboxylate
CID 119033594
methyl (4S)-1-[1-(4-chlorophenyl)pyrazole-4-carbonyl]-3,4-dihydro-2H-quinoline-4-carboxylate
CID 99629302
[1-(4-chlorophenyl)pyrazol-4-yl]-(2,4-dimethylpiperazin-1-yl)methanone
CID 71877338
[1-(4-chlorophenyl)pyrazol-4-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119545737
(3S)-1-[1-(4-chlorophenyl)pyrazole-4-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 125149094
[1-(4-chlorophenyl)pyrazol-4-yl]-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methanone
CID 46489017
1-(7-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 23566601

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)pyrazol-4-yl]-(7-methyl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [1-(4-chlorophenyl)pyrazol-4-yl]-(7-methyl-2,3-dihydroindol-1-yl)methanone (CID 112835848) is [1-(4-chlorophenyl)pyrazol-4-yl]-(7-methyl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [1-(4-chlorophenyl)pyrazol-4-yl]-(7-methyl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [1-(4-chlorophenyl)pyrazol-4-yl]-(7-methyl-2,3-dihydroindol-1-yl)methanone is Cc1cccc2c1N(C(=O)c1cnn(-c3ccc(Cl)cc3)c1)CC2.
What is the InChIKey of [1-(4-chlorophenyl)pyrazol-4-yl]-(7-methyl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is YFSAEMZSZZJRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O/c1-13-3-2-4-14-9-10-22(18(13)14)19(24)15-11-21-23(12-15)17-7-5-16(20)6-8-17/h2-8,11-12H,9-10H2,1H3.
What are the key properties of [1-(4-chlorophenyl)pyrazol-4-yl]-(7-methyl-2,3-dihydroindol-1-yl)methanone?
[1-(4-chlorophenyl)pyrazol-4-yl]-(7-methyl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 337.81 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)pyrazol-4-yl]-(7-methyl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 112835848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).