4-[5-(5-chloro-2-pyridinyl)-1H-pyrazol-4-yl]quinoline

C17H11ClN4 — CID 11055906

IUPAC4-[5-(5-chloro-2-pyridinyl)-1H-pyrazol-4-yl]quinoline
SMILESClc1ccc(-c2[nH]ncc2-c2ccnc3ccccc23)nc1
InChIInChI=1S/C17H11ClN4/c18-11-5-6-16(20-9-11)17-14(10-21-22-17)12-7-8-19-15-4-2-1-3-13(12)15/h1-10H,(H,21,22)
InChIKeyNUTSQHHREHYTAX-UHFFFAOYSA-N
MW306.76 g/mol
LogP4.34
Rot. Bonds2

About 4-[5-(5-chloro-2-pyridinyl)-1H-pyrazol-4-yl]quinoline

4-[5-(5-chloro-2-pyridinyl)-1H-pyrazol-4-yl]quinoline (PubChem CID 11055906) has the molecular formula C17H11ClN4 and a molecular weight of 306.76 g/mol. Its IUPAC name is 4-[5-(5-chloro-2-pyridinyl)-1H-pyrazol-4-yl]quinoline.

Molecular Properties

Compound Name4-[5-(5-chloro-2-pyridinyl)-1H-pyrazol-4-yl]quinoline
PubChem CID11055906
Molecular FormulaC17H11ClN4
Molecular Weight306.76 g/mol
Exact Mass306.07
IUPAC Name4-[5-(5-chloro-2-pyridinyl)-1H-pyrazol-4-yl]quinoline
SMILESClc1ccc(-c2[nH]ncc2-c2ccnc3ccccc23)nc1
InChIInChI=1S/C17H11ClN4/c18-11-5-6-16(20-9-11)17-14(10-21-22-17)12-7-8-19-15-4-2-1-3-13(12)15/h1-10H,(H,21,22)
InChIKeyNUTSQHHREHYTAX-UHFFFAOYSA-N
XLogP4.34
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.76
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(5-chloro-2-pyridinyl)-1H-pyrazol-4-yl]quinoline?
The IUPAC name of 4-[5-(5-chloro-2-pyridinyl)-1H-pyrazol-4-yl]quinoline (CID 11055906) is 4-[5-(5-chloro-2-pyridinyl)-1H-pyrazol-4-yl]quinoline.
What is the SMILES notation for 4-[5-(5-chloro-2-pyridinyl)-1H-pyrazol-4-yl]quinoline?
The canonical SMILES for 4-[5-(5-chloro-2-pyridinyl)-1H-pyrazol-4-yl]quinoline is Clc1ccc(-c2[nH]ncc2-c2ccnc3ccccc23)nc1.
What is the InChIKey of 4-[5-(5-chloro-2-pyridinyl)-1H-pyrazol-4-yl]quinoline?
The InChIKey is NUTSQHHREHYTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN4/c18-11-5-6-16(20-9-11)17-14(10-21-22-17)12-7-8-19-15-4-2-1-3-13(12)15/h1-10H,(H,21,22).
What are the key properties of 4-[5-(5-chloro-2-pyridinyl)-1H-pyrazol-4-yl]quinoline?
4-[5-(5-chloro-2-pyridinyl)-1H-pyrazol-4-yl]quinoline has a molecular weight of 306.76 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(5-chloro-2-pyridinyl)-1H-pyrazol-4-yl]quinoline is sourced from PubChem (CID 11055906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).