3-[3-[2-methyl-4-(2-methylpyrazole-3-carbonyl)piperazine-1-carbonyl]phenyl]-1H-imidazol-2-one

C20H22N6O3 — CID 167858030

IUPAC3-[3-[2-methyl-4-(2-methylpyrazole-3-carbonyl)piperazine-1-carbonyl]phenyl]-1H-imidazol-2-one
SMILESCC1CN(C(=O)c2ccnn2C)CCN1C(=O)c1cccc(-n2cc[nH]c2=O)c1
InChIInChI=1S/C20H22N6O3/c1-14-13-24(19(28)17-6-7-22-23(17)2)10-11-25(14)18(27)15-4-3-5-16(12-15)26-9-8-21-20(26)29/h3-9,12,14H,10-11,13H2,1-2H3,(H,21,29)
InChIKeyGJNDABCFUUPTJQ-UHFFFAOYSA-N
MW394.44 g/mol
LogP0.89
Rot. Bonds3

About 3-[3-[2-methyl-4-(2-methylpyrazole-3-carbonyl)piperazine-1-carbonyl]phenyl]-1H-imidazol-2-one

3-[3-[2-methyl-4-(2-methylpyrazole-3-carbonyl)piperazine-1-carbonyl]phenyl]-1H-imidazol-2-one (PubChem CID 167858030) has the molecular formula C20H22N6O3 and a molecular weight of 394.44 g/mol. Its IUPAC name is 3-[3-[2-methyl-4-(2-methylpyrazole-3-carbonyl)piperazine-1-carbonyl]phenyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[3-[2-methyl-4-(2-methylpyrazole-3-carbonyl)piperazine-1-carbonyl]phenyl]-1H-imidazol-2-one
PubChem CID167858030
Molecular FormulaC20H22N6O3
Molecular Weight394.44 g/mol
Exact Mass394.18
IUPAC Name3-[3-[2-methyl-4-(2-methylpyrazole-3-carbonyl)piperazine-1-carbonyl]phenyl]-1H-imidazol-2-one
SMILESCC1CN(C(=O)c2ccnn2C)CCN1C(=O)c1cccc(-n2cc[nH]c2=O)c1
InChIInChI=1S/C20H22N6O3/c1-14-13-24(19(28)17-6-7-22-23(17)2)10-11-25(14)18(27)15-4-3-5-16(12-15)26-9-8-21-20(26)29/h3-9,12,14H,10-11,13H2,1-2H3,(H,21,29)
InChIKeyGJNDABCFUUPTJQ-UHFFFAOYSA-N
XLogP0.89
TPSA96.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-methyl-4-(2-methylpyrazole-3-carbonyl)piperazine-1-carbonyl]phenyl]-1H-imidazol-2-one?
The IUPAC name of 3-[3-[2-methyl-4-(2-methylpyrazole-3-carbonyl)piperazine-1-carbonyl]phenyl]-1H-imidazol-2-one (CID 167858030) is 3-[3-[2-methyl-4-(2-methylpyrazole-3-carbonyl)piperazine-1-carbonyl]phenyl]-1H-imidazol-2-one.
What is the SMILES notation for 3-[3-[2-methyl-4-(2-methylpyrazole-3-carbonyl)piperazine-1-carbonyl]phenyl]-1H-imidazol-2-one?
The canonical SMILES for 3-[3-[2-methyl-4-(2-methylpyrazole-3-carbonyl)piperazine-1-carbonyl]phenyl]-1H-imidazol-2-one is CC1CN(C(=O)c2ccnn2C)CCN1C(=O)c1cccc(-n2cc[nH]c2=O)c1.
What is the InChIKey of 3-[3-[2-methyl-4-(2-methylpyrazole-3-carbonyl)piperazine-1-carbonyl]phenyl]-1H-imidazol-2-one?
The InChIKey is GJNDABCFUUPTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O3/c1-14-13-24(19(28)17-6-7-22-23(17)2)10-11-25(14)18(27)15-4-3-5-16(12-15)26-9-8-21-20(26)29/h3-9,12,14H,10-11,13H2,1-2H3,(H,21,29).
What are the key properties of 3-[3-[2-methyl-4-(2-methylpyrazole-3-carbonyl)piperazine-1-carbonyl]phenyl]-1H-imidazol-2-one?
3-[3-[2-methyl-4-(2-methylpyrazole-3-carbonyl)piperazine-1-carbonyl]phenyl]-1H-imidazol-2-one has a molecular weight of 394.44 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-methyl-4-(2-methylpyrazole-3-carbonyl)piperazine-1-carbonyl]phenyl]-1H-imidazol-2-one is sourced from PubChem (CID 167858030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).