N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide

C22H28N6O2 — CID 9450248

IUPACN-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide
SMILESCc1ccc(-n2nc(C)cc2NC(=O)CN2CCN(Cc3cc(C)on3)CC2)cc1
InChIInChI=1S/C22H28N6O2/c1-16-4-6-20(7-5-16)28-21(12-17(2)24-28)23-22(29)15-27-10-8-26(9-11-27)14-19-13-18(3)30-25-19/h4-7,12-13H,8-11,14-15H2,1-3H3,(H,23,29)
InChIKeyRSSMGQGXFUYSAF-UHFFFAOYSA-N
MW408.51 g/mol
LogP2.54
Rot. Bonds6

About N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide

N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide (PubChem CID 9450248) has the molecular formula C22H28N6O2 and a molecular weight of 408.51 g/mol. Its IUPAC name is N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide
PubChem CID9450248
Molecular FormulaC22H28N6O2
Molecular Weight408.51 g/mol
Exact Mass408.23
IUPAC NameN-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide
SMILESCc1ccc(-n2nc(C)cc2NC(=O)CN2CCN(Cc3cc(C)on3)CC2)cc1
InChIInChI=1S/C22H28N6O2/c1-16-4-6-20(7-5-16)28-21(12-17(2)24-28)23-22(29)15-27-10-8-26(9-11-27)14-19-13-18(3)30-25-19/h4-7,12-13H,8-11,14-15H2,1-3H3,(H,23,29)
InChIKeyRSSMGQGXFUYSAF-UHFFFAOYSA-N
XLogP2.54
TPSA79.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide
CID 60504087
N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]acetamide
CID 78817652
N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetamide
CID 18292422
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30666033
N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetamide
CID 26377217
N-[2-[4-[2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl]piperazin-1-yl]ethyl]furan-2-carboxamide
CID 34618260
N-(5-bromo-2-pyridinyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide
CID 55469538
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide
CID 60504018
N-(3-bromophenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide
CID 8993927
N-[2-(cyclohexylmethyl)pyrazol-3-yl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide
CID 60504017
2-[4-(2-methylphenyl)piperazin-1-yl]-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide
CID 18196341
N-(2,3-dichlorophenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide
CID 8993994

Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide (CID 9450248) is N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide is Cc1ccc(-n2nc(C)cc2NC(=O)CN2CCN(Cc3cc(C)on3)CC2)cc1.
What is the InChIKey of N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide?
The InChIKey is RSSMGQGXFUYSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O2/c1-16-4-6-20(7-5-16)28-21(12-17(2)24-28)23-22(29)15-27-10-8-26(9-11-27)14-19-13-18(3)30-25-19/h4-7,12-13H,8-11,14-15H2,1-3H3,(H,23,29).
What are the key properties of N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide?
N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide has a molecular weight of 408.51 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 9450248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).