6-methyl-1-[(4-methylphenyl)methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid

C15H17N3O2 — CID 158677677

IUPAC6-methyl-1-[(4-methylphenyl)methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid
SMILESCc1ccc(CN2CCn3nc(C)c(C(=O)O)c32)cc1
InChIInChI=1S/C15H17N3O2/c1-10-3-5-12(6-4-10)9-17-7-8-18-14(17)13(15(19)20)11(2)16-18/h3-6H,7-9H2,1-2H3,(H,19,20)
InChIKeyCGHJTOBBWBZTJV-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.22
Rot. Bonds3

About 6-methyl-1-[(4-methylphenyl)methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid

6-methyl-1-[(4-methylphenyl)methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid (PubChem CID 158677677) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 6-methyl-1-[(4-methylphenyl)methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid.

Molecular Properties

Compound Name6-methyl-1-[(4-methylphenyl)methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid
PubChem CID158677677
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name6-methyl-1-[(4-methylphenyl)methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid
SMILESCc1ccc(CN2CCn3nc(C)c(C(=O)O)c32)cc1
InChIInChI=1S/C15H17N3O2/c1-10-3-5-12(6-4-10)9-17-7-8-18-14(17)13(15(19)20)11(2)16-18/h3-6H,7-9H2,1-2H3,(H,19,20)
InChIKeyCGHJTOBBWBZTJV-UHFFFAOYSA-N
XLogP2.22
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-[(4-methylphenyl)methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid?
The IUPAC name of 6-methyl-1-[(4-methylphenyl)methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid (CID 158677677) is 6-methyl-1-[(4-methylphenyl)methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid.
What is the SMILES notation for 6-methyl-1-[(4-methylphenyl)methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid?
The canonical SMILES for 6-methyl-1-[(4-methylphenyl)methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid is Cc1ccc(CN2CCn3nc(C)c(C(=O)O)c32)cc1.
What is the InChIKey of 6-methyl-1-[(4-methylphenyl)methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid?
The InChIKey is CGHJTOBBWBZTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-10-3-5-12(6-4-10)9-17-7-8-18-14(17)13(15(19)20)11(2)16-18/h3-6H,7-9H2,1-2H3,(H,19,20).
What are the key properties of 6-methyl-1-[(4-methylphenyl)methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid?
6-methyl-1-[(4-methylphenyl)methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid has a molecular weight of 271.32 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-[(4-methylphenyl)methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid is sourced from PubChem (CID 158677677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).