2-quinolin-8-yl-3,4-dihydropyrazol-5-amine

C12H12N4 — CID 13195247

IUPAC2-quinolin-8-yl-3,4-dihydropyrazol-5-amine
SMILESNC1=NN(c2cccc3cccnc23)CC1
InChIInChI=1S/C12H12N4/c13-11-6-8-16(15-11)10-5-1-3-9-4-2-7-14-12(9)10/h1-5,7H,6,8H2,(H2,13,15)
InChIKeyQKZNSARAACLNAQ-UHFFFAOYSA-N
MW212.26 g/mol
LogP1.72
Rot. Bonds1

About 2-quinolin-8-yl-3,4-dihydropyrazol-5-amine

2-quinolin-8-yl-3,4-dihydropyrazol-5-amine (PubChem CID 13195247) has the molecular formula C12H12N4 and a molecular weight of 212.26 g/mol. Its IUPAC name is 2-quinolin-8-yl-3,4-dihydropyrazol-5-amine.

Molecular Properties

Compound Name2-quinolin-8-yl-3,4-dihydropyrazol-5-amine
PubChem CID13195247
Molecular FormulaC12H12N4
Molecular Weight212.26 g/mol
Exact Mass212.11
IUPAC Name2-quinolin-8-yl-3,4-dihydropyrazol-5-amine
SMILESNC1=NN(c2cccc3cccnc23)CC1
InChIInChI=1S/C12H12N4/c13-11-6-8-16(15-11)10-5-1-3-9-4-2-7-14-12(9)10/h1-5,7H,6,8H2,(H2,13,15)
InChIKeyQKZNSARAACLNAQ-UHFFFAOYSA-N
XLogP1.72
TPSA54.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-quinolin-8-yl-3,4-dihydropyrazol-5-amine?
The IUPAC name of 2-quinolin-8-yl-3,4-dihydropyrazol-5-amine (CID 13195247) is 2-quinolin-8-yl-3,4-dihydropyrazol-5-amine.
What is the SMILES notation for 2-quinolin-8-yl-3,4-dihydropyrazol-5-amine?
The canonical SMILES for 2-quinolin-8-yl-3,4-dihydropyrazol-5-amine is NC1=NN(c2cccc3cccnc23)CC1.
What is the InChIKey of 2-quinolin-8-yl-3,4-dihydropyrazol-5-amine?
The InChIKey is QKZNSARAACLNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4/c13-11-6-8-16(15-11)10-5-1-3-9-4-2-7-14-12(9)10/h1-5,7H,6,8H2,(H2,13,15).
What are the key properties of 2-quinolin-8-yl-3,4-dihydropyrazol-5-amine?
2-quinolin-8-yl-3,4-dihydropyrazol-5-amine has a molecular weight of 212.26 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-quinolin-8-yl-3,4-dihydropyrazol-5-amine is sourced from PubChem (CID 13195247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).