[1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone

C20H27N5O2 — CID 120995601

IUPAC[1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
SMILESCOc1ccc(C)cc1-n1ccc(C(=O)N2CCC(N3CCNCC3)C2)n1
InChIInChI=1S/C20H27N5O2/c1-15-3-4-19(27-2)18(13-15)25-10-6-17(22-25)20(26)24-9-5-16(14-24)23-11-7-21-8-12-23/h3-4,6,10,13,16,21H,5,7-9,11-12,14H2,1-2H3
InChIKeyJXSUMXSOMWROIN-UHFFFAOYSA-N
MW369.47 g/mol
LogP1.31
Rot. Bonds4

About [1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone

[1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone (PubChem CID 120995601) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is [1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
PubChem CID120995601
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name[1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
SMILESCOc1ccc(C)cc1-n1ccc(C(=O)N2CCC(N3CCNCC3)C2)n1
InChIInChI=1S/C20H27N5O2/c1-15-3-4-19(27-2)18(13-15)25-10-6-17(22-25)20(26)24-9-5-16(14-24)23-11-7-21-8-12-23/h3-4,6,10,13,16,21H,5,7-9,11-12,14H2,1-2H3
InChIKeyJXSUMXSOMWROIN-UHFFFAOYSA-N
XLogP1.31
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(3R,5R)-3,5-dimethylpiperazin-1-yl]-[1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]methanone
CID 124589349
[1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone
CID 75448752
[1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119543502
(1-phenylpyrazol-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120996125
(2,3-dimethylpiperazin-1-yl)-[1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]methanone
CID 120572934
1-(2-methoxy-5-methylphenyl)-4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)pyrrolidin-2-one;hydrochloride
CID 120995428
[1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]-[3-(phenoxymethyl)piperidin-1-yl]methanone
CID 86971207
[2-(3-fluorophenyl)piperazin-1-yl]-[1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]methanone
CID 120735627
(4-methoxy-1-phenylpyrazol-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120994712
(3-piperazin-1-ylpyrrolidin-1-yl)-(2,4,5-trimethoxyphenyl)methanone
CID 120997118
(1-cyclopentylpyrazol-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120997672
[1-(3-nitrophenyl)pyrazol-3-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120996077

Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone?
The IUPAC name of [1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone (CID 120995601) is [1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for [1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone is COc1ccc(C)cc1-n1ccc(C(=O)N2CCC(N3CCNCC3)C2)n1.
What is the InChIKey of [1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone?
The InChIKey is JXSUMXSOMWROIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-15-3-4-19(27-2)18(13-15)25-10-6-17(22-25)20(26)24-9-5-16(14-24)23-11-7-21-8-12-23/h3-4,6,10,13,16,21H,5,7-9,11-12,14H2,1-2H3.
What are the key properties of [1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone?
[1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone has a molecular weight of 369.47 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 120995601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).