[5-(2,5-dimethylphenyl)-1-methylpyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone

C18H24N4O — CID 110336445

IUPAC[5-(2,5-dimethylphenyl)-1-methylpyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCc1ccc(C)c(-c2cc(C(=O)N3CCN(C)CC3)nn2C)c1
InChIInChI=1S/C18H24N4O/c1-13-5-6-14(2)15(11-13)17-12-16(19-21(17)4)18(23)22-9-7-20(3)8-10-22/h5-6,11-12H,7-10H2,1-4H3
InChIKeyRRNHBHSKEZAYPP-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.09
Rot. Bonds2

About [5-(2,5-dimethylphenyl)-1-methylpyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone

[5-(2,5-dimethylphenyl)-1-methylpyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 110336445) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is [5-(2,5-dimethylphenyl)-1-methylpyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-(2,5-dimethylphenyl)-1-methylpyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID110336445
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name[5-(2,5-dimethylphenyl)-1-methylpyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCc1ccc(C)c(-c2cc(C(=O)N3CCN(C)CC3)nn2C)c1
InChIInChI=1S/C18H24N4O/c1-13-5-6-14(2)15(11-13)17-12-16(19-21(17)4)18(23)22-9-7-20(3)8-10-22/h5-6,11-12H,7-10H2,1-4H3
InChIKeyRRNHBHSKEZAYPP-UHFFFAOYSA-N
XLogP2.09
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(2-fluoro-5-methylphenyl)-1-methylpyrazol-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 110336589
4-[5-(2-methoxy-5-methylphenyl)-1-methylpyrazole-3-carbonyl]piperazine-1-carbaldehyde
CID 110336762
[5-(2-methoxy-5-methylphenyl)-1-methylpyrazol-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 110336780
(4-methylpiperazin-1-yl)-[1-methyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methanone
CID 110336479
ethyl 4-[1-methyl-5-(4-methylphenyl)pyrazole-3-carbonyl]piperazine-1-carboxylate
CID 110299419
[1-methyl-5-(4-methylphenyl)pyrazol-3-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 110299420
[5-(3-methoxyphenyl)-1-methylpyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 110336353
(2,4-dimethylphenyl)-(4-methylpiperazin-1-yl)methanone
CID 925313
N-(3-acetamidophenyl)-5-(2,5-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 110336464
1-[5-(2,4-dimethylphenyl)-1-methylpyrazol-3-yl]ethanone
CID 82128339
5-(2,5-dimethylphenyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
CID 110336452
[5-(3,4-dimethylphenyl)-1-methylpyrazol-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 110299488

Frequently Asked Questions

What is the IUPAC name of [5-(2,5-dimethylphenyl)-1-methylpyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [5-(2,5-dimethylphenyl)-1-methylpyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone (CID 110336445) is [5-(2,5-dimethylphenyl)-1-methylpyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-(2,5-dimethylphenyl)-1-methylpyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [5-(2,5-dimethylphenyl)-1-methylpyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone is Cc1ccc(C)c(-c2cc(C(=O)N3CCN(C)CC3)nn2C)c1.
What is the InChIKey of [5-(2,5-dimethylphenyl)-1-methylpyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is RRNHBHSKEZAYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-13-5-6-14(2)15(11-13)17-12-16(19-21(17)4)18(23)22-9-7-20(3)8-10-22/h5-6,11-12H,7-10H2,1-4H3.
What are the key properties of [5-(2,5-dimethylphenyl)-1-methylpyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone?
[5-(2,5-dimethylphenyl)-1-methylpyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 312.42 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,5-dimethylphenyl)-1-methylpyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 110336445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).