1-[(3,4-dimethylphenyl)methyl]-4-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)piperazin-2-one

C20H23N5O2 — CID 118766814

IUPAC1-[(3,4-dimethylphenyl)methyl]-4-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)piperazin-2-one
SMILESCc1ccc(CN2CCN(C(=O)c3cnn4ccn(C)c34)CC2=O)cc1C
InChIInChI=1S/C20H23N5O2/c1-14-4-5-16(10-15(14)2)12-23-7-8-24(13-18(23)26)20(27)17-11-21-25-9-6-22(3)19(17)25/h4-6,9-11H,7-8,12-13H2,1-3H3
InChIKeyYVVAMIKLPYFSDM-UHFFFAOYSA-N
MW365.44 g/mol
LogP1.77
Rot. Bonds3

About 1-[(3,4-dimethylphenyl)methyl]-4-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)piperazin-2-one

1-[(3,4-dimethylphenyl)methyl]-4-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)piperazin-2-one (PubChem CID 118766814) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 1-[(3,4-dimethylphenyl)methyl]-4-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name1-[(3,4-dimethylphenyl)methyl]-4-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)piperazin-2-one
PubChem CID118766814
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name1-[(3,4-dimethylphenyl)methyl]-4-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)piperazin-2-one
SMILESCc1ccc(CN2CCN(C(=O)c3cnn4ccn(C)c34)CC2=O)cc1C
InChIInChI=1S/C20H23N5O2/c1-14-4-5-16(10-15(14)2)12-23-7-8-24(13-18(23)26)20(27)17-11-21-25-9-6-22(3)19(17)25/h4-6,9-11H,7-8,12-13H2,1-3H3
InChIKeyYVVAMIKLPYFSDM-UHFFFAOYSA-N
XLogP1.77
TPSA62.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethylphenyl)methyl]-4-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)piperazin-2-one?
The IUPAC name of 1-[(3,4-dimethylphenyl)methyl]-4-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)piperazin-2-one (CID 118766814) is 1-[(3,4-dimethylphenyl)methyl]-4-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)piperazin-2-one.
What is the SMILES notation for 1-[(3,4-dimethylphenyl)methyl]-4-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)piperazin-2-one?
The canonical SMILES for 1-[(3,4-dimethylphenyl)methyl]-4-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)piperazin-2-one is Cc1ccc(CN2CCN(C(=O)c3cnn4ccn(C)c34)CC2=O)cc1C.
What is the InChIKey of 1-[(3,4-dimethylphenyl)methyl]-4-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)piperazin-2-one?
The InChIKey is YVVAMIKLPYFSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-14-4-5-16(10-15(14)2)12-23-7-8-24(13-18(23)26)20(27)17-11-21-25-9-6-22(3)19(17)25/h4-6,9-11H,7-8,12-13H2,1-3H3.
What are the key properties of 1-[(3,4-dimethylphenyl)methyl]-4-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)piperazin-2-one?
1-[(3,4-dimethylphenyl)methyl]-4-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)piperazin-2-one has a molecular weight of 365.44 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethylphenyl)methyl]-4-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)piperazin-2-one is sourced from PubChem (CID 118766814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).