2-(4-cyclopropylpiperazin-1-yl)-6-pyrazol-1-ylquinoline

C19H21N5 — CID 11303905

IUPAC2-(4-cyclopropylpiperazin-1-yl)-6-pyrazol-1-ylquinoline
SMILESc1cnn(-c2ccc3nc(N4CCN(C5CC5)CC4)ccc3c2)c1
InChIInChI=1S/C19H21N5/c1-8-20-24(9-1)17-5-6-18-15(14-17)2-7-19(21-18)23-12-10-22(11-13-23)16-3-4-16/h1-2,5-9,14,16H,3-4,10-13H2
InChIKeyDLJYPUKAIQNFQB-UHFFFAOYSA-N
MW319.41 g/mol
LogP2.70
Rot. Bonds3

About 2-(4-cyclopropylpiperazin-1-yl)-6-pyrazol-1-ylquinoline

2-(4-cyclopropylpiperazin-1-yl)-6-pyrazol-1-ylquinoline (PubChem CID 11303905) has the molecular formula C19H21N5 and a molecular weight of 319.41 g/mol. Its IUPAC name is 2-(4-cyclopropylpiperazin-1-yl)-6-pyrazol-1-ylquinoline.

Molecular Properties

Compound Name2-(4-cyclopropylpiperazin-1-yl)-6-pyrazol-1-ylquinoline
PubChem CID11303905
Molecular FormulaC19H21N5
Molecular Weight319.41 g/mol
Exact Mass319.18
IUPAC Name2-(4-cyclopropylpiperazin-1-yl)-6-pyrazol-1-ylquinoline
SMILESc1cnn(-c2ccc3nc(N4CCN(C5CC5)CC4)ccc3c2)c1
InChIInChI=1S/C19H21N5/c1-8-20-24(9-1)17-5-6-18-15(14-17)2-7-19(21-18)23-12-10-22(11-13-23)16-3-4-16/h1-2,5-9,14,16H,3-4,10-13H2
InChIKeyDLJYPUKAIQNFQB-UHFFFAOYSA-N
XLogP2.70
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropylpiperazin-1-yl)-6-pyrazol-1-ylquinoline?
The IUPAC name of 2-(4-cyclopropylpiperazin-1-yl)-6-pyrazol-1-ylquinoline (CID 11303905) is 2-(4-cyclopropylpiperazin-1-yl)-6-pyrazol-1-ylquinoline.
What is the SMILES notation for 2-(4-cyclopropylpiperazin-1-yl)-6-pyrazol-1-ylquinoline?
The canonical SMILES for 2-(4-cyclopropylpiperazin-1-yl)-6-pyrazol-1-ylquinoline is c1cnn(-c2ccc3nc(N4CCN(C5CC5)CC4)ccc3c2)c1.
What is the InChIKey of 2-(4-cyclopropylpiperazin-1-yl)-6-pyrazol-1-ylquinoline?
The InChIKey is DLJYPUKAIQNFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5/c1-8-20-24(9-1)17-5-6-18-15(14-17)2-7-19(21-18)23-12-10-22(11-13-23)16-3-4-16/h1-2,5-9,14,16H,3-4,10-13H2.
What are the key properties of 2-(4-cyclopropylpiperazin-1-yl)-6-pyrazol-1-ylquinoline?
2-(4-cyclopropylpiperazin-1-yl)-6-pyrazol-1-ylquinoline has a molecular weight of 319.41 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropylpiperazin-1-yl)-6-pyrazol-1-ylquinoline is sourced from PubChem (CID 11303905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).