(5S)-5-methyl-1-(2-methylphenyl)-4-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)piperazin-2-one

C20H26N4O2 — CID 96574311

IUPAC(5S)-5-methyl-1-(2-methylphenyl)-4-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)piperazin-2-one
SMILESCc1ccccc1N1C[C@H](C)N(C(=O)c2cc(C(C)C)nn2C)CC1=O
InChIInChI=1S/C20H26N4O2/c1-13(2)16-10-18(22(5)21-16)20(26)23-12-19(25)24(11-15(23)4)17-9-7-6-8-14(17)3/h6-10,13,15H,11-12H2,1-5H3/t15-/m0/s1
InChIKeyRIZYADRLVOMXQB-HNNXBMFYSA-N
MW354.45 g/mol
LogP2.73
Rot. Bonds3

About (5S)-5-methyl-1-(2-methylphenyl)-4-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)piperazin-2-one

(5S)-5-methyl-1-(2-methylphenyl)-4-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)piperazin-2-one (PubChem CID 96574311) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is (5S)-5-methyl-1-(2-methylphenyl)-4-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name(5S)-5-methyl-1-(2-methylphenyl)-4-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)piperazin-2-one
PubChem CID96574311
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name(5S)-5-methyl-1-(2-methylphenyl)-4-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)piperazin-2-one
SMILESCc1ccccc1N1C[C@H](C)N(C(=O)c2cc(C(C)C)nn2C)CC1=O
InChIInChI=1S/C20H26N4O2/c1-13(2)16-10-18(22(5)21-16)20(26)23-12-19(25)24(11-15(23)4)17-9-7-6-8-14(17)3/h6-10,13,15H,11-12H2,1-5H3/t15-/m0/s1
InChIKeyRIZYADRLVOMXQB-HNNXBMFYSA-N
XLogP2.73
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-1-(2-methylphenyl)-4-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)piperazin-2-one?
The IUPAC name of (5S)-5-methyl-1-(2-methylphenyl)-4-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)piperazin-2-one (CID 96574311) is (5S)-5-methyl-1-(2-methylphenyl)-4-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)piperazin-2-one.
What is the SMILES notation for (5S)-5-methyl-1-(2-methylphenyl)-4-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)piperazin-2-one?
The canonical SMILES for (5S)-5-methyl-1-(2-methylphenyl)-4-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)piperazin-2-one is Cc1ccccc1N1C[C@H](C)N(C(=O)c2cc(C(C)C)nn2C)CC1=O.
What is the InChIKey of (5S)-5-methyl-1-(2-methylphenyl)-4-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)piperazin-2-one?
The InChIKey is RIZYADRLVOMXQB-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-13(2)16-10-18(22(5)21-16)20(26)23-12-19(25)24(11-15(23)4)17-9-7-6-8-14(17)3/h6-10,13,15H,11-12H2,1-5H3/t15-/m0/s1.
What are the key properties of (5S)-5-methyl-1-(2-methylphenyl)-4-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)piperazin-2-one?
(5S)-5-methyl-1-(2-methylphenyl)-4-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)piperazin-2-one has a molecular weight of 354.45 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-1-(2-methylphenyl)-4-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)piperazin-2-one is sourced from PubChem (CID 96574311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).