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

C21H24N6O — CID 110299488

IUPAC[5-(3,4-dimethylphenyl)-1-methylpyrazol-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCc1ccc(-c2cc(C(=O)N3CCN(c4ncccn4)CC3)nn2C)cc1C
InChIInChI=1S/C21H24N6O/c1-15-5-6-17(13-16(15)2)19-14-18(24-25(19)3)20(28)26-9-11-27(12-10-26)21-22-7-4-8-23-21/h4-8,13-14H,9-12H2,1-3H3
InChIKeyJYQCMSGGQXOEDZ-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.46
Rot. Bonds3

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

[5-(3,4-dimethylphenyl)-1-methylpyrazol-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 110299488) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is [5-(3,4-dimethylphenyl)-1-methylpyrazol-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-(3,4-dimethylphenyl)-1-methylpyrazol-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID110299488
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC Name[5-(3,4-dimethylphenyl)-1-methylpyrazol-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCc1ccc(-c2cc(C(=O)N3CCN(c4ncccn4)CC3)nn2C)cc1C
InChIInChI=1S/C21H24N6O/c1-15-5-6-17(13-16(15)2)19-14-18(24-25(19)3)20(28)26-9-11-27(12-10-26)21-22-7-4-8-23-21/h4-8,13-14H,9-12H2,1-3H3
InChIKeyJYQCMSGGQXOEDZ-UHFFFAOYSA-N
XLogP2.46
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[5-(3,4-dimethylphenyl)-1-[(3R)-1,1-dioxothiolan-3-yl]pyrazol-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 51662637
[5-(2-methoxy-5-methylphenyl)-1-methylpyrazol-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 110336780
3-(dimethylamino)-1-[4-[5-(3,4-dimethylphenyl)-1-methylpyrazole-3-carbonyl]piperazin-1-yl]propan-1-one
CID 110420398
(1-methyl-5-thiophen-2-ylpyrazol-3-yl)-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone
CID 91771415
[5-(4-chlorophenyl)-1-methylpyrazol-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110336253
[1-methyl-5-(4-methylphenyl)pyrazol-3-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 110299420
[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 110299520
(1-methylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 4770499
(2,5-dimethylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2110630
(1-ethyl-5-methylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 110681727
2-[3-(3,4-dimethylphenyl)-5-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 71571959
ethyl 4-[1-methyl-5-(4-methylphenyl)pyrazole-3-carbonyl]piperazine-1-carboxylate
CID 110299419

Frequently Asked Questions

What is the IUPAC name of [5-(3,4-dimethylphenyl)-1-methylpyrazol-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [5-(3,4-dimethylphenyl)-1-methylpyrazol-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 110299488) is [5-(3,4-dimethylphenyl)-1-methylpyrazol-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-(3,4-dimethylphenyl)-1-methylpyrazol-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [5-(3,4-dimethylphenyl)-1-methylpyrazol-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is Cc1ccc(-c2cc(C(=O)N3CCN(c4ncccn4)CC3)nn2C)cc1C.
What is the InChIKey of [5-(3,4-dimethylphenyl)-1-methylpyrazol-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is JYQCMSGGQXOEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c1-15-5-6-17(13-16(15)2)19-14-18(24-25(19)3)20(28)26-9-11-27(12-10-26)21-22-7-4-8-23-21/h4-8,13-14H,9-12H2,1-3H3.
What are the key properties of [5-(3,4-dimethylphenyl)-1-methylpyrazol-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
[5-(3,4-dimethylphenyl)-1-methylpyrazol-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 376.46 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,4-dimethylphenyl)-1-methylpyrazol-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 110299488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).