4-quinolin-2-yl-4H-pyrazole-3,5-diamine

C12H11N5 — CID 162739701

IUPAC4-quinolin-2-yl-4H-pyrazole-3,5-diamine
SMILESNC1=NN=C(N)C1c1ccc2ccccc2n1
InChIInChI=1S/C12H11N5/c13-11-10(12(14)17-16-11)9-6-5-7-3-1-2-4-8(7)15-9/h1-6,10H,(H2,13,16)(H2,14,17)
InChIKeyDIKUXJRPYCBQMS-UHFFFAOYSA-N
MW225.26 g/mol
LogP0.96
Rot. Bonds1

About 4-quinolin-2-yl-4H-pyrazole-3,5-diamine

4-quinolin-2-yl-4H-pyrazole-3,5-diamine (PubChem CID 162739701) has the molecular formula C12H11N5 and a molecular weight of 225.26 g/mol. Its IUPAC name is 4-quinolin-2-yl-4H-pyrazole-3,5-diamine.

Molecular Properties

Compound Name4-quinolin-2-yl-4H-pyrazole-3,5-diamine
PubChem CID162739701
Molecular FormulaC12H11N5
Molecular Weight225.26 g/mol
Exact Mass225.10
IUPAC Name4-quinolin-2-yl-4H-pyrazole-3,5-diamine
SMILESNC1=NN=C(N)C1c1ccc2ccccc2n1
InChIInChI=1S/C12H11N5/c13-11-10(12(14)17-16-11)9-6-5-7-3-1-2-4-8(7)15-9/h1-6,10H,(H2,13,16)(H2,14,17)
InChIKeyDIKUXJRPYCBQMS-UHFFFAOYSA-N
XLogP0.96
TPSA89.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-quinolin-2-yl-4H-pyrazole-3,5-diamine?
The IUPAC name of 4-quinolin-2-yl-4H-pyrazole-3,5-diamine (CID 162739701) is 4-quinolin-2-yl-4H-pyrazole-3,5-diamine.
What is the SMILES notation for 4-quinolin-2-yl-4H-pyrazole-3,5-diamine?
The canonical SMILES for 4-quinolin-2-yl-4H-pyrazole-3,5-diamine is NC1=NN=C(N)C1c1ccc2ccccc2n1.
What is the InChIKey of 4-quinolin-2-yl-4H-pyrazole-3,5-diamine?
The InChIKey is DIKUXJRPYCBQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5/c13-11-10(12(14)17-16-11)9-6-5-7-3-1-2-4-8(7)15-9/h1-6,10H,(H2,13,16)(H2,14,17).
What are the key properties of 4-quinolin-2-yl-4H-pyrazole-3,5-diamine?
4-quinolin-2-yl-4H-pyrazole-3,5-diamine has a molecular weight of 225.26 g/mol, XLogP of 0.96, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-quinolin-2-yl-4H-pyrazole-3,5-diamine is sourced from PubChem (CID 162739701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).