4-[(2-methoxy-4-pyrazol-1-ylphenyl)methyl]-3,3-dimethyl-1-propylpiperazin-2-one

C20H28N4O2 — CID 167914471

IUPAC4-[(2-methoxy-4-pyrazol-1-ylphenyl)methyl]-3,3-dimethyl-1-propylpiperazin-2-one
SMILESCCCN1CCN(Cc2ccc(-n3cccn3)cc2OC)C(C)(C)C1=O
InChIInChI=1S/C20H28N4O2/c1-5-10-22-12-13-23(20(2,3)19(22)25)15-16-7-8-17(14-18(16)26-4)24-11-6-9-21-24/h6-9,11,14H,5,10,12-13,15H2,1-4H3
InChIKeyWPLMNQBWZRYUNT-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.71
Rot. Bonds6

About 4-[(2-methoxy-4-pyrazol-1-ylphenyl)methyl]-3,3-dimethyl-1-propylpiperazin-2-one

4-[(2-methoxy-4-pyrazol-1-ylphenyl)methyl]-3,3-dimethyl-1-propylpiperazin-2-one (PubChem CID 167914471) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 4-[(2-methoxy-4-pyrazol-1-ylphenyl)methyl]-3,3-dimethyl-1-propylpiperazin-2-one.

Molecular Properties

Compound Name4-[(2-methoxy-4-pyrazol-1-ylphenyl)methyl]-3,3-dimethyl-1-propylpiperazin-2-one
PubChem CID167914471
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name4-[(2-methoxy-4-pyrazol-1-ylphenyl)methyl]-3,3-dimethyl-1-propylpiperazin-2-one
SMILESCCCN1CCN(Cc2ccc(-n3cccn3)cc2OC)C(C)(C)C1=O
InChIInChI=1S/C20H28N4O2/c1-5-10-22-12-13-23(20(2,3)19(22)25)15-16-7-8-17(14-18(16)26-4)24-11-6-9-21-24/h6-9,11,14H,5,10,12-13,15H2,1-4H3
InChIKeyWPLMNQBWZRYUNT-UHFFFAOYSA-N
XLogP2.71
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxy-4-pyrazol-1-ylphenyl)methyl]-3,3-dimethyl-1-propylpiperazin-2-one?
The IUPAC name of 4-[(2-methoxy-4-pyrazol-1-ylphenyl)methyl]-3,3-dimethyl-1-propylpiperazin-2-one (CID 167914471) is 4-[(2-methoxy-4-pyrazol-1-ylphenyl)methyl]-3,3-dimethyl-1-propylpiperazin-2-one.
What is the SMILES notation for 4-[(2-methoxy-4-pyrazol-1-ylphenyl)methyl]-3,3-dimethyl-1-propylpiperazin-2-one?
The canonical SMILES for 4-[(2-methoxy-4-pyrazol-1-ylphenyl)methyl]-3,3-dimethyl-1-propylpiperazin-2-one is CCCN1CCN(Cc2ccc(-n3cccn3)cc2OC)C(C)(C)C1=O.
What is the InChIKey of 4-[(2-methoxy-4-pyrazol-1-ylphenyl)methyl]-3,3-dimethyl-1-propylpiperazin-2-one?
The InChIKey is WPLMNQBWZRYUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-5-10-22-12-13-23(20(2,3)19(22)25)15-16-7-8-17(14-18(16)26-4)24-11-6-9-21-24/h6-9,11,14H,5,10,12-13,15H2,1-4H3.
What are the key properties of 4-[(2-methoxy-4-pyrazol-1-ylphenyl)methyl]-3,3-dimethyl-1-propylpiperazin-2-one?
4-[(2-methoxy-4-pyrazol-1-ylphenyl)methyl]-3,3-dimethyl-1-propylpiperazin-2-one has a molecular weight of 356.47 g/mol, XLogP of 2.71, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxy-4-pyrazol-1-ylphenyl)methyl]-3,3-dimethyl-1-propylpiperazin-2-one is sourced from PubChem (CID 167914471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).