5-[1-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-2-yl]isoquinoline

C18H17N5 — CID 146039872

IUPAC5-[1-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-2-yl]isoquinoline
SMILESCn1nccc1CCn1ccnc1-c1cccc2cnccc12
InChIInChI=1S/C18H17N5/c1-22-15(5-9-21-22)7-11-23-12-10-20-18(23)17-4-2-3-14-13-19-8-6-16(14)17/h2-6,8-10,12-13H,7,11H2,1H3
InChIKeyVTVVGKPZGFGJPI-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.07
Rot. Bonds4

About 5-[1-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-2-yl]isoquinoline

5-[1-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-2-yl]isoquinoline (PubChem CID 146039872) has the molecular formula C18H17N5 and a molecular weight of 303.37 g/mol. Its IUPAC name is 5-[1-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-2-yl]isoquinoline.

Molecular Properties

Compound Name5-[1-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-2-yl]isoquinoline
PubChem CID146039872
Molecular FormulaC18H17N5
Molecular Weight303.37 g/mol
Exact Mass303.15
IUPAC Name5-[1-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-2-yl]isoquinoline
SMILESCn1nccc1CCn1ccnc1-c1cccc2cnccc12
InChIInChI=1S/C18H17N5/c1-22-15(5-9-21-22)7-11-23-12-10-20-18(23)17-4-2-3-14-13-19-8-6-16(14)17/h2-6,8-10,12-13H,7,11H2,1H3
InChIKeyVTVVGKPZGFGJPI-UHFFFAOYSA-N
XLogP3.07
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-isoquinolin-5-ylimidazol-1-yl)methyl]-1H-pyrimidin-6-one
CID 166624407
4-[1-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-2-yl]aniline
CID 103002374
3-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-4-one
CID 103015543
(3-isoquinolin-5-yl-4-methylphenyl)methanamine
CID 105408745
1-methyl-5-[(2-methylimidazol-1-yl)methyl]pyrazole
CID 131018890
5-[1-(2-fluoroethyl)imidazol-2-yl]-2-naphthalen-1-ylpyrimidine
CID 70746819
5-(furan-3-yl)isoquinoline
CID 102045200
4-N-methyl-4-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridine-3,4-diamine
CID 103003367
1-[2-(2-methylpyrazol-3-yl)ethyl]indol-5-amine
CID 103002337
isoquinolin-5-yl-(2-methylpyrazol-3-yl)methanol
CID 114554152
4-[1-(3-pyridin-3-ylpropyl)imidazol-2-yl]-2,1,3-benzoxadiazole
CID 56917793
5-(5-methylpyrazol-1-yl)isoquinoline
CID 139907357

Frequently Asked Questions

What is the IUPAC name of 5-[1-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-2-yl]isoquinoline?
The IUPAC name of 5-[1-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-2-yl]isoquinoline (CID 146039872) is 5-[1-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-2-yl]isoquinoline.
What is the SMILES notation for 5-[1-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-2-yl]isoquinoline?
The canonical SMILES for 5-[1-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-2-yl]isoquinoline is Cn1nccc1CCn1ccnc1-c1cccc2cnccc12.
What is the InChIKey of 5-[1-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-2-yl]isoquinoline?
The InChIKey is VTVVGKPZGFGJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5/c1-22-15(5-9-21-22)7-11-23-12-10-20-18(23)17-4-2-3-14-13-19-8-6-16(14)17/h2-6,8-10,12-13H,7,11H2,1H3.
What are the key properties of 5-[1-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-2-yl]isoquinoline?
5-[1-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-2-yl]isoquinoline has a molecular weight of 303.37 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-2-yl]isoquinoline is sourced from PubChem (CID 146039872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).