4-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]imidazol-2-yl]quinoline

C19H19N5 — CID 56861407

IUPAC4-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]imidazol-2-yl]quinoline
SMILESCc1n[nH]c(C)c1CCn1ccnc1-c1ccnc2ccccc12
InChIInChI=1S/C19H19N5/c1-13-15(14(2)23-22-13)8-11-24-12-10-21-19(24)17-7-9-20-18-6-4-3-5-16(17)18/h3-7,9-10,12H,8,11H2,1-2H3,(H,22,23)
InChIKeyKMAXFJOGTBKCFD-UHFFFAOYSA-N
MW317.40 g/mol
LogP3.68
Rot. Bonds4

About 4-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]imidazol-2-yl]quinoline

4-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]imidazol-2-yl]quinoline (PubChem CID 56861407) has the molecular formula C19H19N5 and a molecular weight of 317.40 g/mol. Its IUPAC name is 4-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]imidazol-2-yl]quinoline.

Molecular Properties

Compound Name4-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]imidazol-2-yl]quinoline
PubChem CID56861407
Molecular FormulaC19H19N5
Molecular Weight317.40 g/mol
Exact Mass317.16
IUPAC Name4-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]imidazol-2-yl]quinoline
SMILESCc1n[nH]c(C)c1CCn1ccnc1-c1ccnc2ccccc12
InChIInChI=1S/C19H19N5/c1-13-15(14(2)23-22-13)8-11-24-12-10-21-19(24)17-7-9-20-18-6-4-3-5-16(17)18/h3-7,9-10,12H,8,11H2,1-2H3,(H,22,23)
InChIKeyKMAXFJOGTBKCFD-UHFFFAOYSA-N
XLogP3.68
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]imidazol-2-yl]quinoline?
The IUPAC name of 4-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]imidazol-2-yl]quinoline (CID 56861407) is 4-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]imidazol-2-yl]quinoline.
What is the SMILES notation for 4-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]imidazol-2-yl]quinoline?
The canonical SMILES for 4-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]imidazol-2-yl]quinoline is Cc1n[nH]c(C)c1CCn1ccnc1-c1ccnc2ccccc12.
What is the InChIKey of 4-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]imidazol-2-yl]quinoline?
The InChIKey is KMAXFJOGTBKCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5/c1-13-15(14(2)23-22-13)8-11-24-12-10-21-19(24)17-7-9-20-18-6-4-3-5-16(17)18/h3-7,9-10,12H,8,11H2,1-2H3,(H,22,23).
What are the key properties of 4-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]imidazol-2-yl]quinoline?
4-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]imidazol-2-yl]quinoline has a molecular weight of 317.40 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]imidazol-2-yl]quinoline is sourced from PubChem (CID 56861407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).