4-pyridin-3-yl-2-quinoxalin-2-yl-1H-pyrazol-3-one;hydrochloride

C16H12ClN5O — CID 68805384

IUPAC4-pyridin-3-yl-2-quinoxalin-2-yl-1H-pyrazol-3-one;hydrochloride
SMILESCl.O=c1c(-c2cccnc2)c[nH]n1-c1cnc2ccccc2n1
InChIInChI=1S/C16H11N5O.ClH/c22-16-12(11-4-3-7-17-8-11)9-19-21(16)15-10-18-13-5-1-2-6-14(13)20-15;/h1-10,19H;1H
InChIKeyYORYXYCFAQEHMN-UHFFFAOYSA-N
MW325.76 g/mol
LogP2.59
Rot. Bonds2

About 4-pyridin-3-yl-2-quinoxalin-2-yl-1H-pyrazol-3-one;hydrochloride

4-pyridin-3-yl-2-quinoxalin-2-yl-1H-pyrazol-3-one;hydrochloride (PubChem CID 68805384) has the molecular formula C16H12ClN5O and a molecular weight of 325.76 g/mol. Its IUPAC name is 4-pyridin-3-yl-2-quinoxalin-2-yl-1H-pyrazol-3-one;hydrochloride.

Molecular Properties

Compound Name4-pyridin-3-yl-2-quinoxalin-2-yl-1H-pyrazol-3-one;hydrochloride
PubChem CID68805384
Molecular FormulaC16H12ClN5O
Molecular Weight325.76 g/mol
Exact Mass325.07
IUPAC Name4-pyridin-3-yl-2-quinoxalin-2-yl-1H-pyrazol-3-one;hydrochloride
SMILESCl.O=c1c(-c2cccnc2)c[nH]n1-c1cnc2ccccc2n1
InChIInChI=1S/C16H11N5O.ClH/c22-16-12(11-4-3-7-17-8-11)9-19-21(16)15-10-18-13-5-1-2-6-14(13)20-15;/h1-10,19H;1H
InChIKeyYORYXYCFAQEHMN-UHFFFAOYSA-N
XLogP2.59
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.76
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-pyridin-3-yl-2-quinoxalin-2-yl-1H-pyrazol-3-one;hydrochloride?
The IUPAC name of 4-pyridin-3-yl-2-quinoxalin-2-yl-1H-pyrazol-3-one;hydrochloride (CID 68805384) is 4-pyridin-3-yl-2-quinoxalin-2-yl-1H-pyrazol-3-one;hydrochloride.
What is the SMILES notation for 4-pyridin-3-yl-2-quinoxalin-2-yl-1H-pyrazol-3-one;hydrochloride?
The canonical SMILES for 4-pyridin-3-yl-2-quinoxalin-2-yl-1H-pyrazol-3-one;hydrochloride is Cl.O=c1c(-c2cccnc2)c[nH]n1-c1cnc2ccccc2n1.
What is the InChIKey of 4-pyridin-3-yl-2-quinoxalin-2-yl-1H-pyrazol-3-one;hydrochloride?
The InChIKey is YORYXYCFAQEHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N5O.ClH/c22-16-12(11-4-3-7-17-8-11)9-19-21(16)15-10-18-13-5-1-2-6-14(13)20-15;/h1-10,19H;1H.
What are the key properties of 4-pyridin-3-yl-2-quinoxalin-2-yl-1H-pyrazol-3-one;hydrochloride?
4-pyridin-3-yl-2-quinoxalin-2-yl-1H-pyrazol-3-one;hydrochloride has a molecular weight of 325.76 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-3-yl-2-quinoxalin-2-yl-1H-pyrazol-3-one;hydrochloride is sourced from PubChem (CID 68805384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).