(3R)-3-(2-chlorophenyl)-4-(2-methylpyrazole-3-carbonyl)piperazin-2-one

C15H15ClN4O2 — CID 99628590

IUPAC(3R)-3-(2-chlorophenyl)-4-(2-methylpyrazole-3-carbonyl)piperazin-2-one
SMILESCn1nccc1C(=O)N1CCNC(=O)[C@H]1c1ccccc1Cl
InChIInChI=1S/C15H15ClN4O2/c1-19-12(6-7-18-19)15(22)20-9-8-17-14(21)13(20)10-4-2-3-5-11(10)16/h2-7,13H,8-9H2,1H3,(H,17,21)/t13-/m1/s1
InChIKeyDENVWTQZVXDCGR-CYBMUJFWSA-N
MW318.76 g/mol
LogP1.39
Rot. Bonds2

About (3R)-3-(2-chlorophenyl)-4-(2-methylpyrazole-3-carbonyl)piperazin-2-one

(3R)-3-(2-chlorophenyl)-4-(2-methylpyrazole-3-carbonyl)piperazin-2-one (PubChem CID 99628590) has the molecular formula C15H15ClN4O2 and a molecular weight of 318.76 g/mol. Its IUPAC name is (3R)-3-(2-chlorophenyl)-4-(2-methylpyrazole-3-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name(3R)-3-(2-chlorophenyl)-4-(2-methylpyrazole-3-carbonyl)piperazin-2-one
PubChem CID99628590
Molecular FormulaC15H15ClN4O2
Molecular Weight318.76 g/mol
Exact Mass318.09
IUPAC Name(3R)-3-(2-chlorophenyl)-4-(2-methylpyrazole-3-carbonyl)piperazin-2-one
SMILESCn1nccc1C(=O)N1CCNC(=O)[C@H]1c1ccccc1Cl
InChIInChI=1S/C15H15ClN4O2/c1-19-12(6-7-18-19)15(22)20-9-8-17-14(21)13(20)10-4-2-3-5-11(10)16/h2-7,13H,8-9H2,1H3,(H,17,21)/t13-/m1/s1
InChIKeyDENVWTQZVXDCGR-CYBMUJFWSA-N
XLogP1.39
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-chlorophenyl)-4-(2-methylpyrazole-3-carbonyl)piperazin-2-one?
The IUPAC name of (3R)-3-(2-chlorophenyl)-4-(2-methylpyrazole-3-carbonyl)piperazin-2-one (CID 99628590) is (3R)-3-(2-chlorophenyl)-4-(2-methylpyrazole-3-carbonyl)piperazin-2-one.
What is the SMILES notation for (3R)-3-(2-chlorophenyl)-4-(2-methylpyrazole-3-carbonyl)piperazin-2-one?
The canonical SMILES for (3R)-3-(2-chlorophenyl)-4-(2-methylpyrazole-3-carbonyl)piperazin-2-one is Cn1nccc1C(=O)N1CCNC(=O)[C@H]1c1ccccc1Cl.
What is the InChIKey of (3R)-3-(2-chlorophenyl)-4-(2-methylpyrazole-3-carbonyl)piperazin-2-one?
The InChIKey is DENVWTQZVXDCGR-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H15ClN4O2/c1-19-12(6-7-18-19)15(22)20-9-8-17-14(21)13(20)10-4-2-3-5-11(10)16/h2-7,13H,8-9H2,1H3,(H,17,21)/t13-/m1/s1.
What are the key properties of (3R)-3-(2-chlorophenyl)-4-(2-methylpyrazole-3-carbonyl)piperazin-2-one?
(3R)-3-(2-chlorophenyl)-4-(2-methylpyrazole-3-carbonyl)piperazin-2-one has a molecular weight of 318.76 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-chlorophenyl)-4-(2-methylpyrazole-3-carbonyl)piperazin-2-one is sourced from PubChem (CID 99628590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).