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

C20H18ClN3O — CID 7742106

IUPAC(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
SMILESCc1nn(-c2ccccc2)c(Cl)c1C(=O)N1c2ccccc2C[C@H]1C
InChIInChI=1S/C20H18ClN3O/c1-13-12-15-8-6-7-11-17(15)23(13)20(25)18-14(2)22-24(19(18)21)16-9-4-3-5-10-16/h3-11,13H,12H2,1-2H3/t13-/m1/s1
InChIKeyUUGCZBRVXGPDRQ-CYBMUJFWSA-N
MW351.84 g/mol
LogP4.43
Rot. Bonds2

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

(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone (PubChem CID 7742106) has the molecular formula C20H18ClN3O and a molecular weight of 351.84 g/mol. Its IUPAC name is (5-chloro-3-methyl-1-phenylpyrazol-4-yl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone.

Molecular Properties

Compound Name(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
PubChem CID7742106
Molecular FormulaC20H18ClN3O
Molecular Weight351.84 g/mol
Exact Mass351.11
IUPAC Name(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
SMILESCc1nn(-c2ccccc2)c(Cl)c1C(=O)N1c2ccccc2C[C@H]1C
InChIInChI=1S/C20H18ClN3O/c1-13-12-15-8-6-7-11-17(15)23(13)20(25)18-14(2)22-24(19(18)21)16-9-4-3-5-10-16/h3-11,13H,12H2,1-2H3/t13-/m1/s1
InChIKeyUUGCZBRVXGPDRQ-CYBMUJFWSA-N
XLogP4.43
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.84
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-2-methyl-2,3-dihydroindol-1-yl]-(5-methyl-2-phenyltriazol-4-yl)methanone
CID 26910878
(2-methyl-2,3-dihydroindol-1-yl)-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 46538773
[1-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 99697362
N-[3-methyl-1-[4-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]phenyl]-4-phenylpyrazol-5-yl]acetamide
CID 92873024
(2-methyl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 15274130
(2-chloro-5-hydroxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 106501267
(2,6-dimethoxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 17319734
(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78769460
(1,3-diphenylpyrazol-4-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 2310421
(2,5-dichlorophenyl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 29176451
(2,4-dimethyl-1,3-thiazol-5-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 42905966
(2S)-1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-2,3-dihydroindole-2-carboxamide
CID 71881537

Frequently Asked Questions

What is the IUPAC name of (5-chloro-3-methyl-1-phenylpyrazol-4-yl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone?
The IUPAC name of (5-chloro-3-methyl-1-phenylpyrazol-4-yl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone (CID 7742106) is (5-chloro-3-methyl-1-phenylpyrazol-4-yl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone.
What is the SMILES notation for (5-chloro-3-methyl-1-phenylpyrazol-4-yl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone?
The canonical SMILES for (5-chloro-3-methyl-1-phenylpyrazol-4-yl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone is Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N1c2ccccc2C[C@H]1C.
What is the InChIKey of (5-chloro-3-methyl-1-phenylpyrazol-4-yl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone?
The InChIKey is UUGCZBRVXGPDRQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H18ClN3O/c1-13-12-15-8-6-7-11-17(15)23(13)20(25)18-14(2)22-24(19(18)21)16-9-4-3-5-10-16/h3-11,13H,12H2,1-2H3/t13-/m1/s1.
What are the key properties of (5-chloro-3-methyl-1-phenylpyrazol-4-yl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone?
(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone has a molecular weight of 351.84 g/mol, XLogP of 4.43, 2 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-phenylpyrazol-4-yl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone is sourced from PubChem (CID 7742106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).