[1-(4-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]-(4-methylpiperazin-1-yl)methanone

C20H23N5O — CID 20915103

IUPAC[1-(4-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCc1ccc(-n2ncc(C(=O)N3CCN(C)CC3)c2-n2cccc2)cc1
InChIInChI=1S/C20H23N5O/c1-16-5-7-17(8-6-16)25-19(23-9-3-4-10-23)18(15-21-25)20(26)24-13-11-22(2)12-14-24/h3-10,15H,11-14H2,1-2H3
InChIKeyFOEITLMQRSSVIQ-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.36
Rot. Bonds3

About [1-(4-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]-(4-methylpiperazin-1-yl)methanone

[1-(4-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 20915103) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is [1-(4-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-(4-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID20915103
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name[1-(4-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCc1ccc(-n2ncc(C(=O)N3CCN(C)CC3)c2-n2cccc2)cc1
InChIInChI=1S/C20H23N5O/c1-16-5-7-17(8-6-16)25-19(23-9-3-4-10-23)18(15-21-25)20(26)24-13-11-22(2)12-14-24/h3-10,15H,11-14H2,1-2H3
InChIKeyFOEITLMQRSSVIQ-UHFFFAOYSA-N
XLogP2.36
TPSA46.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(4-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]-piperidin-1-ylmethanone
CID 20915110
[1-(4-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 20915096
furan-2-yl-[4-[1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperazin-1-yl]methanone
CID 20915108
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[1-(4-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone
CID 20915101
azepan-1-yl-[1-(3-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone
CID 20936773
(4-methyl-1,4-diazepan-1-yl)-[5-pyrrol-1-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methanone
CID 78851778
(4-methyl-1,4-diazepan-1-yl)-[1-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanone
CID 78828139
(4-cyclohexylpiperazin-1-yl)-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone
CID 20915390
1-[1-(4-bromophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperidine-4-carboxamide
CID 30388139
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methanone
CID 6623449
(3-methyl-1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)-(4-methylpiperazin-1-yl)methanone
CID 20892633
[4-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 78848478

Frequently Asked Questions

What is the IUPAC name of [1-(4-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [1-(4-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]-(4-methylpiperazin-1-yl)methanone (CID 20915103) is [1-(4-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-(4-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [1-(4-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]-(4-methylpiperazin-1-yl)methanone is Cc1ccc(-n2ncc(C(=O)N3CCN(C)CC3)c2-n2cccc2)cc1.
What is the InChIKey of [1-(4-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is FOEITLMQRSSVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-16-5-7-17(8-6-16)25-19(23-9-3-4-10-23)18(15-21-25)20(26)24-13-11-22(2)12-14-24/h3-10,15H,11-14H2,1-2H3.
What are the key properties of [1-(4-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]-(4-methylpiperazin-1-yl)methanone?
[1-(4-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 349.44 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 20915103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).