3-(1H-pyrazol-5-yl)quinolin-2-amine

C12H10N4 — CID 156613187

IUPAC3-(1H-pyrazol-5-yl)quinolin-2-amine
SMILESNc1nc2ccccc2cc1-c1ccn[nH]1
InChIInChI=1S/C12H10N4/c13-12-9(11-5-6-14-16-11)7-8-3-1-2-4-10(8)15-12/h1-7H,(H2,13,15)(H,14,16)
InChIKeyYSTUVOGGQDGMEK-UHFFFAOYSA-N
MW210.24 g/mol
LogP2.21
Rot. Bonds1

About 3-(1H-pyrazol-5-yl)quinolin-2-amine

3-(1H-pyrazol-5-yl)quinolin-2-amine (PubChem CID 156613187) has the molecular formula C12H10N4 and a molecular weight of 210.24 g/mol. Its IUPAC name is 3-(1H-pyrazol-5-yl)quinolin-2-amine.

Molecular Properties

Compound Name3-(1H-pyrazol-5-yl)quinolin-2-amine
PubChem CID156613187
Molecular FormulaC12H10N4
Molecular Weight210.24 g/mol
Exact Mass210.09
IUPAC Name3-(1H-pyrazol-5-yl)quinolin-2-amine
SMILESNc1nc2ccccc2cc1-c1ccn[nH]1
InChIInChI=1S/C12H10N4/c13-12-9(11-5-6-14-16-11)7-8-3-1-2-4-10(8)15-12/h1-7H,(H2,13,15)(H,14,16)
InChIKeyYSTUVOGGQDGMEK-UHFFFAOYSA-N
XLogP2.21
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-pyrazol-5-yl)quinolin-2-amine?
The IUPAC name of 3-(1H-pyrazol-5-yl)quinolin-2-amine (CID 156613187) is 3-(1H-pyrazol-5-yl)quinolin-2-amine.
What is the SMILES notation for 3-(1H-pyrazol-5-yl)quinolin-2-amine?
The canonical SMILES for 3-(1H-pyrazol-5-yl)quinolin-2-amine is Nc1nc2ccccc2cc1-c1ccn[nH]1.
What is the InChIKey of 3-(1H-pyrazol-5-yl)quinolin-2-amine?
The InChIKey is YSTUVOGGQDGMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4/c13-12-9(11-5-6-14-16-11)7-8-3-1-2-4-10(8)15-12/h1-7H,(H2,13,15)(H,14,16).
What are the key properties of 3-(1H-pyrazol-5-yl)quinolin-2-amine?
3-(1H-pyrazol-5-yl)quinolin-2-amine has a molecular weight of 210.24 g/mol, XLogP of 2.21, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-pyrazol-5-yl)quinolin-2-amine is sourced from PubChem (CID 156613187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).