[2-(2-chlorophenyl)piperazin-1-yl]-(5-methyl-1H-indazol-7-yl)methanone

C19H19ClN4O — CID 120739788

IUPAC[2-(2-chlorophenyl)piperazin-1-yl]-(5-methyl-1H-indazol-7-yl)methanone
SMILESCc1cc(C(=O)N2CCNCC2c2ccccc2Cl)c2[nH]ncc2c1
InChIInChI=1S/C19H19ClN4O/c1-12-8-13-10-22-23-18(13)15(9-12)19(25)24-7-6-21-11-17(24)14-4-2-3-5-16(14)20/h2-5,8-10,17,21H,6-7,11H2,1H3,(H,22,23)
InChIKeySQIOVWBWBYOQBC-UHFFFAOYSA-N
MW354.84 g/mol
LogP3.31
Rot. Bonds2

About [2-(2-chlorophenyl)piperazin-1-yl]-(5-methyl-1H-indazol-7-yl)methanone

[2-(2-chlorophenyl)piperazin-1-yl]-(5-methyl-1H-indazol-7-yl)methanone (PubChem CID 120739788) has the molecular formula C19H19ClN4O and a molecular weight of 354.84 g/mol. Its IUPAC name is [2-(2-chlorophenyl)piperazin-1-yl]-(5-methyl-1H-indazol-7-yl)methanone.

Molecular Properties

Compound Name[2-(2-chlorophenyl)piperazin-1-yl]-(5-methyl-1H-indazol-7-yl)methanone
PubChem CID120739788
Molecular FormulaC19H19ClN4O
Molecular Weight354.84 g/mol
Exact Mass354.12
IUPAC Name[2-(2-chlorophenyl)piperazin-1-yl]-(5-methyl-1H-indazol-7-yl)methanone
SMILESCc1cc(C(=O)N2CCNCC2c2ccccc2Cl)c2[nH]ncc2c1
InChIInChI=1S/C19H19ClN4O/c1-12-8-13-10-22-23-18(13)15(9-12)19(25)24-7-6-21-11-17(24)14-4-2-3-5-16(14)20/h2-5,8-10,17,21H,6-7,11H2,1H3,(H,22,23)
InChIKeySQIOVWBWBYOQBC-UHFFFAOYSA-N
XLogP3.31
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-chlorophenyl)piperazin-1-yl]-(4-methyl-3-pyridinyl)methanone
CID 120739700
[2-(2-chlorophenyl)piperazin-1-yl]-(3-chloro-4-pyridinyl)methanone
CID 120738818
[2-(2-chlorophenyl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 120738738
5-[2-(2-chlorophenyl)piperazine-1-carbonyl]-N,N,6-trimethylpyridine-2-carboxamide
CID 120739544
[2-(2-chlorophenyl)piperazin-1-yl]-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
CID 120738157
[2-(2-chlorophenyl)piperazin-1-yl]-cyclopentylmethanone
CID 120739912
(5-tert-butyl-1H-pyrazol-3-yl)-[2-(2-chlorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120738206
(5-methyl-1H-indazol-7-yl)-pyrrolidin-1-ylmethanone
CID 166182991
[2-(2-chlorophenyl)piperazin-1-yl]-(thiadiazol-5-yl)methanone;hydrochloride
CID 120738665
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(1H-pyrazol-5-yl)ethanone;dihydrochloride
CID 120738581
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-ethylbutan-1-one;hydrochloride
CID 120739465
[2-(2-chlorophenyl)piperazin-1-yl]-(3,3-difluorocyclobutyl)methanone;hydrochloride
CID 120738675

Frequently Asked Questions

What is the IUPAC name of [2-(2-chlorophenyl)piperazin-1-yl]-(5-methyl-1H-indazol-7-yl)methanone?
The IUPAC name of [2-(2-chlorophenyl)piperazin-1-yl]-(5-methyl-1H-indazol-7-yl)methanone (CID 120739788) is [2-(2-chlorophenyl)piperazin-1-yl]-(5-methyl-1H-indazol-7-yl)methanone.
What is the SMILES notation for [2-(2-chlorophenyl)piperazin-1-yl]-(5-methyl-1H-indazol-7-yl)methanone?
The canonical SMILES for [2-(2-chlorophenyl)piperazin-1-yl]-(5-methyl-1H-indazol-7-yl)methanone is Cc1cc(C(=O)N2CCNCC2c2ccccc2Cl)c2[nH]ncc2c1.
What is the InChIKey of [2-(2-chlorophenyl)piperazin-1-yl]-(5-methyl-1H-indazol-7-yl)methanone?
The InChIKey is SQIOVWBWBYOQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O/c1-12-8-13-10-22-23-18(13)15(9-12)19(25)24-7-6-21-11-17(24)14-4-2-3-5-16(14)20/h2-5,8-10,17,21H,6-7,11H2,1H3,(H,22,23).
What are the key properties of [2-(2-chlorophenyl)piperazin-1-yl]-(5-methyl-1H-indazol-7-yl)methanone?
[2-(2-chlorophenyl)piperazin-1-yl]-(5-methyl-1H-indazol-7-yl)methanone has a molecular weight of 354.84 g/mol, XLogP of 3.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chlorophenyl)piperazin-1-yl]-(5-methyl-1H-indazol-7-yl)methanone is sourced from PubChem (CID 120739788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).