[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C22H26N6O — CID 110373321

IUPAC[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCN(c3ncccn3)CC2)nn1-c1ccc(C(C)C)cc1
InChIInChI=1S/C22H26N6O/c1-16(2)18-5-7-19(8-6-18)28-17(3)15-20(25-28)21(29)26-11-13-27(14-12-26)22-23-9-4-10-24-22/h4-10,15-16H,11-14H2,1-3H3
InChIKeyJVCCSISBDOQEAS-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.06
Rot. Bonds4

About [5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 110373321) has the molecular formula C22H26N6O and a molecular weight of 390.49 g/mol. Its IUPAC name is [5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID110373321
Molecular FormulaC22H26N6O
Molecular Weight390.49 g/mol
Exact Mass390.22
IUPAC Name[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCN(c3ncccn3)CC2)nn1-c1ccc(C(C)C)cc1
InChIInChI=1S/C22H26N6O/c1-16(2)18-5-7-19(8-6-18)28-17(3)15-20(25-28)21(29)26-11-13-27(14-12-26)22-23-9-4-10-24-22/h4-10,15-16H,11-14H2,1-3H3
InChIKeyJVCCSISBDOQEAS-UHFFFAOYSA-N
XLogP3.06
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(1-ethyl-5-methylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 110681727
[5-(3,4-dimethylphenyl)-1-methylpyrazol-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 110299488
(2S)-2-(4-propan-2-ylphenoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 42562844
[1-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 110373058
3-(4-propan-2-ylanilino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 109030431
[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 4-propan-2-ylbenzoate
CID 9019880
(1-methylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 4770499
[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]-piperazin-1-ylmethanone
CID 154744491
[4-(1-aminoethyl)piperidin-1-yl]-(5-methyl-1-phenylpyrazol-3-yl)methanone;hydrochloride
CID 119518631
(4-butan-2-ylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 110761276
2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 91959892
[1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2017715

Frequently Asked Questions

What is the IUPAC name of [5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 110373321) is [5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is Cc1cc(C(=O)N2CCN(c3ncccn3)CC2)nn1-c1ccc(C(C)C)cc1.
What is the InChIKey of [5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is JVCCSISBDOQEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O/c1-16(2)18-5-7-19(8-6-18)28-17(3)15-20(25-28)21(29)26-11-13-27(14-12-26)22-23-9-4-10-24-22/h4-10,15-16H,11-14H2,1-3H3.
What are the key properties of [5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 390.49 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 110373321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).