1,5-dimethyl-4-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]imidazol-2-yl]-2-phenylpyrazol-3-one

C21H27N5O — CID 56750983

IUPAC1,5-dimethyl-4-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]imidazol-2-yl]-2-phenylpyrazol-3-one
SMILESCc1c(-c2nccn2CCC2CCCN2C)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C21H27N5O/c1-16-19(21(27)26(24(16)3)18-8-5-4-6-9-18)20-22-12-15-25(20)14-11-17-10-7-13-23(17)2/h4-6,8-9,12,15,17H,7,10-11,13-14H2,1-3H3
InChIKeyJGZYHTVNVYBLRI-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.83
Rot. Bonds5

About 1,5-dimethyl-4-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]imidazol-2-yl]-2-phenylpyrazol-3-one

1,5-dimethyl-4-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]imidazol-2-yl]-2-phenylpyrazol-3-one (PubChem CID 56750983) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is 1,5-dimethyl-4-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]imidazol-2-yl]-2-phenylpyrazol-3-one.

Molecular Properties

Compound Name1,5-dimethyl-4-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]imidazol-2-yl]-2-phenylpyrazol-3-one
PubChem CID56750983
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC Name1,5-dimethyl-4-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]imidazol-2-yl]-2-phenylpyrazol-3-one
SMILESCc1c(-c2nccn2CCC2CCCN2C)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C21H27N5O/c1-16-19(21(27)26(24(16)3)18-8-5-4-6-9-18)20-22-12-15-25(20)14-11-17-10-7-13-23(17)2/h4-6,8-9,12,15,17H,7,10-11,13-14H2,1-3H3
InChIKeyJGZYHTVNVYBLRI-UHFFFAOYSA-N
XLogP2.83
TPSA47.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-4-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]imidazol-2-yl]-2-phenylpyrazol-3-one?
The IUPAC name of 1,5-dimethyl-4-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]imidazol-2-yl]-2-phenylpyrazol-3-one (CID 56750983) is 1,5-dimethyl-4-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]imidazol-2-yl]-2-phenylpyrazol-3-one.
What is the SMILES notation for 1,5-dimethyl-4-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]imidazol-2-yl]-2-phenylpyrazol-3-one?
The canonical SMILES for 1,5-dimethyl-4-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]imidazol-2-yl]-2-phenylpyrazol-3-one is Cc1c(-c2nccn2CCC2CCCN2C)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of 1,5-dimethyl-4-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]imidazol-2-yl]-2-phenylpyrazol-3-one?
The InChIKey is JGZYHTVNVYBLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c1-16-19(21(27)26(24(16)3)18-8-5-4-6-9-18)20-22-12-15-25(20)14-11-17-10-7-13-23(17)2/h4-6,8-9,12,15,17H,7,10-11,13-14H2,1-3H3.
What are the key properties of 1,5-dimethyl-4-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]imidazol-2-yl]-2-phenylpyrazol-3-one?
1,5-dimethyl-4-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]imidazol-2-yl]-2-phenylpyrazol-3-one has a molecular weight of 365.48 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-4-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]imidazol-2-yl]-2-phenylpyrazol-3-one is sourced from PubChem (CID 56750983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).