(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-(2,3-dihydroindol-1-yl)methanone

C20H18ClN3O — CID 26290398

IUPAC(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-(2,3-dihydroindol-1-yl)methanone
SMILESCc1nn(Cc2ccccc2)c(Cl)c1C(=O)N1CCc2ccccc21
InChIInChI=1S/C20H18ClN3O/c1-14-18(19(21)24(22-14)13-15-7-3-2-4-8-15)20(25)23-12-11-16-9-5-6-10-17(16)23/h2-10H,11-13H2,1H3
InChIKeyHMZQNMHZYDHUKP-UHFFFAOYSA-N
MW351.84 g/mol
LogP4.10
Rot. Bonds3

About (1-benzyl-5-chloro-3-methylpyrazol-4-yl)-(2,3-dihydroindol-1-yl)methanone

(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-(2,3-dihydroindol-1-yl)methanone (PubChem CID 26290398) has the molecular formula C20H18ClN3O and a molecular weight of 351.84 g/mol. Its IUPAC name is (1-benzyl-5-chloro-3-methylpyrazol-4-yl)-(2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-(2,3-dihydroindol-1-yl)methanone
PubChem CID26290398
Molecular FormulaC20H18ClN3O
Molecular Weight351.84 g/mol
Exact Mass351.11
IUPAC Name(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-(2,3-dihydroindol-1-yl)methanone
SMILESCc1nn(Cc2ccccc2)c(Cl)c1C(=O)N1CCc2ccccc21
InChIInChI=1S/C20H18ClN3O/c1-14-18(19(21)24(22-14)13-15-7-3-2-4-8-15)20(25)23-12-11-16-9-5-6-10-17(16)23/h2-10H,11-13H2,1H3
InChIKeyHMZQNMHZYDHUKP-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

[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-(2,3-dihydroindol-1-yl)methanone
CID 4963728
(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 111694905
(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-[(2S)-2-methylmorpholin-4-yl]methanone
CID 95139427
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 5-chloro-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxylate
CID 7904528
(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 18282347
1-benzyl-3,5-dimethylpyrazole-4-carboxylic acid
CID 2826762
(3R)-1-(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)piperidine-3-carboxamide
CID 95900961
1-benzyl-5-chloro-3-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazole-4-carboxamide
CID 2567145
3,4-dihydro-2H-quinolin-1-yl-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 110682720
2-[4-(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)piperazin-1-yl]-N-propylacetamide
CID 134014653
1-benzyl-5-chloro-3-methyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]pyrazole-4-carboxamide
CID 55714392
[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 8892631

Frequently Asked Questions

What is the IUPAC name of (1-benzyl-5-chloro-3-methylpyrazol-4-yl)-(2,3-dihydroindol-1-yl)methanone?
The IUPAC name of (1-benzyl-5-chloro-3-methylpyrazol-4-yl)-(2,3-dihydroindol-1-yl)methanone (CID 26290398) is (1-benzyl-5-chloro-3-methylpyrazol-4-yl)-(2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for (1-benzyl-5-chloro-3-methylpyrazol-4-yl)-(2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for (1-benzyl-5-chloro-3-methylpyrazol-4-yl)-(2,3-dihydroindol-1-yl)methanone is Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N1CCc2ccccc21.
What is the InChIKey of (1-benzyl-5-chloro-3-methylpyrazol-4-yl)-(2,3-dihydroindol-1-yl)methanone?
The InChIKey is HMZQNMHZYDHUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O/c1-14-18(19(21)24(22-14)13-15-7-3-2-4-8-15)20(25)23-12-11-16-9-5-6-10-17(16)23/h2-10H,11-13H2,1H3.
What are the key properties of (1-benzyl-5-chloro-3-methylpyrazol-4-yl)-(2,3-dihydroindol-1-yl)methanone?
(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-(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-benzyl-5-chloro-3-methylpyrazol-4-yl)-(2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 26290398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).