(5R)-5-methyl-4-(5-methyl-1H-pyrazole-3-carbonyl)-1-(3-phenylphenyl)piperazin-2-one

C22H22N4O2 — CID 96582352

IUPAC(5R)-5-methyl-4-(5-methyl-1H-pyrazole-3-carbonyl)-1-(3-phenylphenyl)piperazin-2-one
SMILESCc1cc(C(=O)N2CC(=O)N(c3cccc(-c4ccccc4)c3)C[C@H]2C)n[nH]1
InChIInChI=1S/C22H22N4O2/c1-15-11-20(24-23-15)22(28)25-14-21(27)26(13-16(25)2)19-10-6-9-18(12-19)17-7-4-3-5-8-17/h3-12,16H,13-14H2,1-2H3,(H,23,24)/t16-/m1/s1
InChIKeyJHGQJSBYJRHUBR-MRXNPFEDSA-N
MW374.44 g/mol
LogP3.26
Rot. Bonds3

About (5R)-5-methyl-4-(5-methyl-1H-pyrazole-3-carbonyl)-1-(3-phenylphenyl)piperazin-2-one

(5R)-5-methyl-4-(5-methyl-1H-pyrazole-3-carbonyl)-1-(3-phenylphenyl)piperazin-2-one (PubChem CID 96582352) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is (5R)-5-methyl-4-(5-methyl-1H-pyrazole-3-carbonyl)-1-(3-phenylphenyl)piperazin-2-one.

Molecular Properties

Compound Name(5R)-5-methyl-4-(5-methyl-1H-pyrazole-3-carbonyl)-1-(3-phenylphenyl)piperazin-2-one
PubChem CID96582352
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name(5R)-5-methyl-4-(5-methyl-1H-pyrazole-3-carbonyl)-1-(3-phenylphenyl)piperazin-2-one
SMILESCc1cc(C(=O)N2CC(=O)N(c3cccc(-c4ccccc4)c3)C[C@H]2C)n[nH]1
InChIInChI=1S/C22H22N4O2/c1-15-11-20(24-23-15)22(28)25-14-21(27)26(13-16(25)2)19-10-6-9-18(12-19)17-7-4-3-5-8-17/h3-12,16H,13-14H2,1-2H3,(H,23,24)/t16-/m1/s1
InChIKeyJHGQJSBYJRHUBR-MRXNPFEDSA-N
XLogP3.26
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-methyl-4-(5-methyl-1H-pyrazole-3-carbonyl)-1-(3-phenylphenyl)piperazin-2-one?
The IUPAC name of (5R)-5-methyl-4-(5-methyl-1H-pyrazole-3-carbonyl)-1-(3-phenylphenyl)piperazin-2-one (CID 96582352) is (5R)-5-methyl-4-(5-methyl-1H-pyrazole-3-carbonyl)-1-(3-phenylphenyl)piperazin-2-one.
What is the SMILES notation for (5R)-5-methyl-4-(5-methyl-1H-pyrazole-3-carbonyl)-1-(3-phenylphenyl)piperazin-2-one?
The canonical SMILES for (5R)-5-methyl-4-(5-methyl-1H-pyrazole-3-carbonyl)-1-(3-phenylphenyl)piperazin-2-one is Cc1cc(C(=O)N2CC(=O)N(c3cccc(-c4ccccc4)c3)C[C@H]2C)n[nH]1.
What is the InChIKey of (5R)-5-methyl-4-(5-methyl-1H-pyrazole-3-carbonyl)-1-(3-phenylphenyl)piperazin-2-one?
The InChIKey is JHGQJSBYJRHUBR-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-15-11-20(24-23-15)22(28)25-14-21(27)26(13-16(25)2)19-10-6-9-18(12-19)17-7-4-3-5-8-17/h3-12,16H,13-14H2,1-2H3,(H,23,24)/t16-/m1/s1.
What are the key properties of (5R)-5-methyl-4-(5-methyl-1H-pyrazole-3-carbonyl)-1-(3-phenylphenyl)piperazin-2-one?
(5R)-5-methyl-4-(5-methyl-1H-pyrazole-3-carbonyl)-1-(3-phenylphenyl)piperazin-2-one has a molecular weight of 374.44 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methyl-4-(5-methyl-1H-pyrazole-3-carbonyl)-1-(3-phenylphenyl)piperazin-2-one is sourced from PubChem (CID 96582352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).