N-[1-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-2-methyl-3-oxopiperazine-1-carboxamide

C18H23N5O2 — CID 138042664

IUPACN-[1-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-2-methyl-3-oxopiperazine-1-carboxamide
SMILESCc1cc(C)cc(-n2nc(NC(=O)N3CCNC(=O)C3C)cc2C)c1
InChIInChI=1S/C18H23N5O2/c1-11-7-12(2)9-15(8-11)23-13(3)10-16(21-23)20-18(25)22-6-5-19-17(24)14(22)4/h7-10,14H,5-6H2,1-4H3,(H,19,24)(H,20,21,25)
InChIKeyOPSXRNAEAWDUCK-UHFFFAOYSA-N
MW341.42 g/mol
LogP2.15
Rot. Bonds2

About N-[1-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-2-methyl-3-oxopiperazine-1-carboxamide

N-[1-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-2-methyl-3-oxopiperazine-1-carboxamide (PubChem CID 138042664) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is N-[1-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-2-methyl-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-2-methyl-3-oxopiperazine-1-carboxamide
PubChem CID138042664
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC NameN-[1-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-2-methyl-3-oxopiperazine-1-carboxamide
SMILESCc1cc(C)cc(-n2nc(NC(=O)N3CCNC(=O)C3C)cc2C)c1
InChIInChI=1S/C18H23N5O2/c1-11-7-12(2)9-15(8-11)23-13(3)10-16(21-23)20-18(25)22-6-5-19-17(24)14(22)4/h7-10,14H,5-6H2,1-4H3,(H,19,24)(H,20,21,25)
InChIKeyOPSXRNAEAWDUCK-UHFFFAOYSA-N
XLogP2.15
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-2-methyl-3-oxopiperazine-1-carboxamide?
The IUPAC name of N-[1-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-2-methyl-3-oxopiperazine-1-carboxamide (CID 138042664) is N-[1-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-2-methyl-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for N-[1-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-2-methyl-3-oxopiperazine-1-carboxamide?
The canonical SMILES for N-[1-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-2-methyl-3-oxopiperazine-1-carboxamide is Cc1cc(C)cc(-n2nc(NC(=O)N3CCNC(=O)C3C)cc2C)c1.
What is the InChIKey of N-[1-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-2-methyl-3-oxopiperazine-1-carboxamide?
The InChIKey is OPSXRNAEAWDUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-11-7-12(2)9-15(8-11)23-13(3)10-16(21-23)20-18(25)22-6-5-19-17(24)14(22)4/h7-10,14H,5-6H2,1-4H3,(H,19,24)(H,20,21,25).
What are the key properties of N-[1-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-2-methyl-3-oxopiperazine-1-carboxamide?
N-[1-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-2-methyl-3-oxopiperazine-1-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-2-methyl-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 138042664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).