4-(5-cyclopropyl-3-pyridin-2-yl-1H-pyrazol-4-yl)quinoline

C20H16N4 — CID 10380809

IUPAC4-(5-cyclopropyl-3-pyridin-2-yl-1H-pyrazol-4-yl)quinoline
SMILESc1ccc(-c2n[nH]c(C3CC3)c2-c2ccnc3ccccc23)nc1
InChIInChI=1S/C20H16N4/c1-2-6-16-14(5-1)15(10-12-22-16)18-19(13-8-9-13)23-24-20(18)17-7-3-4-11-21-17/h1-7,10-13H,8-9H2,(H,23,24)
InChIKeyKUWVOCJVMUNDRT-UHFFFAOYSA-N
MW312.38 g/mol
LogP4.56
Rot. Bonds3

About 4-(5-cyclopropyl-3-pyridin-2-yl-1H-pyrazol-4-yl)quinoline

4-(5-cyclopropyl-3-pyridin-2-yl-1H-pyrazol-4-yl)quinoline (PubChem CID 10380809) has the molecular formula C20H16N4 and a molecular weight of 312.38 g/mol. Its IUPAC name is 4-(5-cyclopropyl-3-pyridin-2-yl-1H-pyrazol-4-yl)quinoline.

Molecular Properties

Compound Name4-(5-cyclopropyl-3-pyridin-2-yl-1H-pyrazol-4-yl)quinoline
PubChem CID10380809
Molecular FormulaC20H16N4
Molecular Weight312.38 g/mol
Exact Mass312.14
IUPAC Name4-(5-cyclopropyl-3-pyridin-2-yl-1H-pyrazol-4-yl)quinoline
SMILESc1ccc(-c2n[nH]c(C3CC3)c2-c2ccnc3ccccc23)nc1
InChIInChI=1S/C20H16N4/c1-2-6-16-14(5-1)15(10-12-22-16)18-19(13-8-9-13)23-24-20(18)17-7-3-4-11-21-17/h1-7,10-13H,8-9H2,(H,23,24)
InChIKeyKUWVOCJVMUNDRT-UHFFFAOYSA-N
XLogP4.56
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-cyclopropyl-3-pyridin-2-yl-1H-pyrazol-4-yl)quinoline?
The IUPAC name of 4-(5-cyclopropyl-3-pyridin-2-yl-1H-pyrazol-4-yl)quinoline (CID 10380809) is 4-(5-cyclopropyl-3-pyridin-2-yl-1H-pyrazol-4-yl)quinoline.
What is the SMILES notation for 4-(5-cyclopropyl-3-pyridin-2-yl-1H-pyrazol-4-yl)quinoline?
The canonical SMILES for 4-(5-cyclopropyl-3-pyridin-2-yl-1H-pyrazol-4-yl)quinoline is c1ccc(-c2n[nH]c(C3CC3)c2-c2ccnc3ccccc23)nc1.
What is the InChIKey of 4-(5-cyclopropyl-3-pyridin-2-yl-1H-pyrazol-4-yl)quinoline?
The InChIKey is KUWVOCJVMUNDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4/c1-2-6-16-14(5-1)15(10-12-22-16)18-19(13-8-9-13)23-24-20(18)17-7-3-4-11-21-17/h1-7,10-13H,8-9H2,(H,23,24).
What are the key properties of 4-(5-cyclopropyl-3-pyridin-2-yl-1H-pyrazol-4-yl)quinoline?
4-(5-cyclopropyl-3-pyridin-2-yl-1H-pyrazol-4-yl)quinoline has a molecular weight of 312.38 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyclopropyl-3-pyridin-2-yl-1H-pyrazol-4-yl)quinoline is sourced from PubChem (CID 10380809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).