2-imidazol-1-yl-1-[3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone

C18H19N5O — CID 53185518

IUPAC2-imidazol-1-yl-1-[3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCc1ccc(-c2n[nH]c3c2CN(C(=O)Cn2ccnc2)CC3)cc1
InChIInChI=1S/C18H19N5O/c1-13-2-4-14(5-3-13)18-15-10-23(8-6-16(15)20-21-18)17(24)11-22-9-7-19-12-22/h2-5,7,9,12H,6,8,10-11H2,1H3,(H,20,21)
InChIKeyCJWRIKQMQQFAHF-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.17
Rot. Bonds3

About 2-imidazol-1-yl-1-[3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone

2-imidazol-1-yl-1-[3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 53185518) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-imidazol-1-yl-1-[3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name2-imidazol-1-yl-1-[3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID53185518
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name2-imidazol-1-yl-1-[3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCc1ccc(-c2n[nH]c3c2CN(C(=O)Cn2ccnc2)CC3)cc1
InChIInChI=1S/C18H19N5O/c1-13-2-4-14(5-3-13)18-15-10-23(8-6-16(15)20-21-18)17(24)11-22-9-7-19-12-22/h2-5,7,9,12H,6,8,10-11H2,1H3,(H,20,21)
InChIKeyCJWRIKQMQQFAHF-UHFFFAOYSA-N
XLogP2.17
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-imidazol-1-yl-1-[3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-1-[3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone?
The IUPAC name of 2-imidazol-1-yl-1-[3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 53185518) is 2-imidazol-1-yl-1-[3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 2-imidazol-1-yl-1-[3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone?
The canonical SMILES for 2-imidazol-1-yl-1-[3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone is Cc1ccc(-c2n[nH]c3c2CN(C(=O)Cn2ccnc2)CC3)cc1.
What is the InChIKey of 2-imidazol-1-yl-1-[3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone?
The InChIKey is CJWRIKQMQQFAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-13-2-4-14(5-3-13)18-15-10-23(8-6-16(15)20-21-18)17(24)11-22-9-7-19-12-22/h2-5,7,9,12H,6,8,10-11H2,1H3,(H,20,21).
What are the key properties of 2-imidazol-1-yl-1-[3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone?
2-imidazol-1-yl-1-[3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 321.38 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-1-[3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 53185518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).