[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride

C19H25Cl2N5O — CID 120997379

IUPAC[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
SMILESCc1cc(C(=O)N2CCC(N3CCNCC3)C2)nn1-c1cccc(Cl)c1.Cl
InChIInChI=1S/C19H24ClN5O.ClH/c1-14-11-18(22-25(14)16-4-2-3-15(20)12-16)19(26)24-8-5-17(13-24)23-9-6-21-7-10-23;/h2-4,11-12,17,21H,5-10,13H2,1H3;1H
InChIKeyQBPRKINAAMPNGO-UHFFFAOYSA-N
MW410.35 g/mol
LogP2.38
Rot. Bonds3

About [1-(3-chlorophenyl)-5-methylpyrazol-3-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride

[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride (PubChem CID 120997379) has the molecular formula C19H25Cl2N5O and a molecular weight of 410.35 g/mol. Its IUPAC name is [1-(3-chlorophenyl)-5-methylpyrazol-3-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
PubChem CID120997379
Molecular FormulaC19H25Cl2N5O
Molecular Weight410.35 g/mol
Exact Mass409.14
IUPAC Name[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
SMILESCc1cc(C(=O)N2CCC(N3CCNCC3)C2)nn1-c1cccc(Cl)c1.Cl
InChIInChI=1S/C19H24ClN5O.ClH/c1-14-11-18(22-25(14)16-4-2-3-15(20)12-16)19(26)24-8-5-17(13-24)23-9-6-21-7-10-23;/h2-4,11-12,17,21H,5-10,13H2,1H3;1H
InChIKeyQBPRKINAAMPNGO-UHFFFAOYSA-N
XLogP2.38
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.35
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(3-chlorophenyl)-5-methylpyrazole-3-carbonyl]piperidine-4-carboxylic acid
CID 120512359
3,9-diazabicyclo[4.2.1]nonan-3-yl-(5-methyl-1-phenylpyrazol-3-yl)methanone
CID 119636938
[1-(4-chlorophenyl)-5-methylpyrazol-4-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120995130
(1-phenylpyrazol-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120996125
ethyl 4-[1-(3-chlorophenyl)-5-methylpyrazole-3-carbonyl]piperazine-1-carboxylate
CID 110373026
(4-chloro-2-fluorophenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120995650
(2-phenyltriazol-4-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120995171
(5-chloro-2-ethylsulfanylphenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120997656
[1-(4-chlorophenyl)-5-methylpyrazol-4-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120995131
(5-methyl-1-phenylpyrazol-4-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120995115
(6R)-4-[1-(3-chlorophenyl)-5-methylpyrazole-3-carbonyl]-6-methylmorpholine-2-carboxylic acid
CID 120536281
[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 136521082

Frequently Asked Questions

What is the IUPAC name of [1-(3-chlorophenyl)-5-methylpyrazol-3-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride?
The IUPAC name of [1-(3-chlorophenyl)-5-methylpyrazol-3-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride (CID 120997379) is [1-(3-chlorophenyl)-5-methylpyrazol-3-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride.
What is the SMILES notation for [1-(3-chlorophenyl)-5-methylpyrazol-3-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride?
The canonical SMILES for [1-(3-chlorophenyl)-5-methylpyrazol-3-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride is Cc1cc(C(=O)N2CCC(N3CCNCC3)C2)nn1-c1cccc(Cl)c1.Cl.
What is the InChIKey of [1-(3-chlorophenyl)-5-methylpyrazol-3-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride?
The InChIKey is QBPRKINAAMPNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN5O.ClH/c1-14-11-18(22-25(14)16-4-2-3-15(20)12-16)19(26)24-8-5-17(13-24)23-9-6-21-7-10-23;/h2-4,11-12,17,21H,5-10,13H2,1H3;1H.
What are the key properties of [1-(3-chlorophenyl)-5-methylpyrazol-3-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride?
[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride has a molecular weight of 410.35 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chlorophenyl)-5-methylpyrazol-3-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 120997379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).