[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-(2,3-dihydroindol-1-yl)methanone

C21H20ClN3O — CID 4963728

IUPAC[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-(2,3-dihydroindol-1-yl)methanone
SMILESCc1ccc(Cn2nc(C)c(C(=O)N3CCc4ccccc43)c2Cl)cc1
InChIInChI=1S/C21H20ClN3O/c1-14-7-9-16(10-8-14)13-25-20(22)19(15(2)23-25)21(26)24-12-11-17-5-3-4-6-18(17)24/h3-10H,11-13H2,1-2H3
InChIKeyKSHKPQUUGHVSHE-UHFFFAOYSA-N
MW365.86 g/mol
LogP4.40
Rot. Bonds3

About [5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-(2,3-dihydroindol-1-yl)methanone

[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-(2,3-dihydroindol-1-yl)methanone (PubChem CID 4963728) has the molecular formula C21H20ClN3O and a molecular weight of 365.86 g/mol. Its IUPAC name is [5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-(2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-(2,3-dihydroindol-1-yl)methanone
PubChem CID4963728
Molecular FormulaC21H20ClN3O
Molecular Weight365.86 g/mol
Exact Mass365.13
IUPAC Name[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-(2,3-dihydroindol-1-yl)methanone
SMILESCc1ccc(Cn2nc(C)c(C(=O)N3CCc4ccccc43)c2Cl)cc1
InChIInChI=1S/C21H20ClN3O/c1-14-7-9-16(10-8-14)13-25-20(22)19(15(2)23-25)21(26)24-12-11-17-5-3-4-6-18(17)24/h3-10H,11-13H2,1-2H3
InChIKeyKSHKPQUUGHVSHE-UHFFFAOYSA-N
XLogP4.40
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.86
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-(2,3-dihydroindol-1-yl)methanone
CID 26290398
[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78769617
[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 78774100
[4-[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]piperazin-1-yl]-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methanone
CID 31368615
[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 8892631
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 5-chloro-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxylate
CID 7904528
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate
CID 7355663
8-[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 55472623
5-chloro-3-methyl-N-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 56502435
5-chloro-3-methyl-N-[(2-methylphenyl)methyl]-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 26313221
(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 111694905
2,3-dihydroindol-1-yl-[4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]phenyl]methanone
CID 38106390

Frequently Asked Questions

What is the IUPAC name of [5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-(2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-(2,3-dihydroindol-1-yl)methanone (CID 4963728) is [5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-(2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-(2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-(2,3-dihydroindol-1-yl)methanone is Cc1ccc(Cn2nc(C)c(C(=O)N3CCc4ccccc43)c2Cl)cc1.
What is the InChIKey of [5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-(2,3-dihydroindol-1-yl)methanone?
The InChIKey is KSHKPQUUGHVSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O/c1-14-7-9-16(10-8-14)13-25-20(22)19(15(2)23-25)21(26)24-12-11-17-5-3-4-6-18(17)24/h3-10H,11-13H2,1-2H3.
What are the key properties of [5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-(2,3-dihydroindol-1-yl)methanone?
[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-(2,3-dihydroindol-1-yl)methanone has a molecular weight of 365.86 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-(2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 4963728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).