N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(2-methyl-3-oxo-2-propylpiperazin-1-yl)acetamide

C22H31N5O2 — CID 126814521

IUPACN-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(2-methyl-3-oxo-2-propylpiperazin-1-yl)acetamide
SMILESCCCC1(C)C(=O)NCCN1CC(=O)Nc1c(C)nn(-c2ccc(C)cc2)c1C
InChIInChI=1S/C22H31N5O2/c1-6-11-22(5)21(29)23-12-13-26(22)14-19(28)24-20-16(3)25-27(17(20)4)18-9-7-15(2)8-10-18/h7-10H,6,11-14H2,1-5H3,(H,23,29)(H,24,28)
InChIKeyVRPZZXRSUKRUGH-UHFFFAOYSA-N
MW397.52 g/mol
LogP2.73
Rot. Bonds6

About N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(2-methyl-3-oxo-2-propylpiperazin-1-yl)acetamide

N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(2-methyl-3-oxo-2-propylpiperazin-1-yl)acetamide (PubChem CID 126814521) has the molecular formula C22H31N5O2 and a molecular weight of 397.52 g/mol. Its IUPAC name is N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(2-methyl-3-oxo-2-propylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(2-methyl-3-oxo-2-propylpiperazin-1-yl)acetamide
PubChem CID126814521
Molecular FormulaC22H31N5O2
Molecular Weight397.52 g/mol
Exact Mass397.25
IUPAC NameN-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(2-methyl-3-oxo-2-propylpiperazin-1-yl)acetamide
SMILESCCCC1(C)C(=O)NCCN1CC(=O)Nc1c(C)nn(-c2ccc(C)cc2)c1C
InChIInChI=1S/C22H31N5O2/c1-6-11-22(5)21(29)23-12-13-26(22)14-19(28)24-20-16(3)25-27(17(20)4)18-9-7-15(2)8-10-18/h7-10H,6,11-14H2,1-5H3,(H,23,29)(H,24,28)
InChIKeyVRPZZXRSUKRUGH-UHFFFAOYSA-N
XLogP2.73
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(2-methyl-3-oxo-2-propylpiperazin-1-yl)acetamide?
The IUPAC name of N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(2-methyl-3-oxo-2-propylpiperazin-1-yl)acetamide (CID 126814521) is N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(2-methyl-3-oxo-2-propylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(2-methyl-3-oxo-2-propylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(2-methyl-3-oxo-2-propylpiperazin-1-yl)acetamide is CCCC1(C)C(=O)NCCN1CC(=O)Nc1c(C)nn(-c2ccc(C)cc2)c1C.
What is the InChIKey of N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(2-methyl-3-oxo-2-propylpiperazin-1-yl)acetamide?
The InChIKey is VRPZZXRSUKRUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O2/c1-6-11-22(5)21(29)23-12-13-26(22)14-19(28)24-20-16(3)25-27(17(20)4)18-9-7-15(2)8-10-18/h7-10H,6,11-14H2,1-5H3,(H,23,29)(H,24,28).
What are the key properties of N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(2-methyl-3-oxo-2-propylpiperazin-1-yl)acetamide?
N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(2-methyl-3-oxo-2-propylpiperazin-1-yl)acetamide has a molecular weight of 397.52 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(2-methyl-3-oxo-2-propylpiperazin-1-yl)acetamide is sourced from PubChem (CID 126814521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).