N-(5-methyl-3-phenyl-1H-pyrazol-4-yl)quinoxaline-2-carboxamide

C19H15N5O — CID 71418294

IUPACN-(5-methyl-3-phenyl-1H-pyrazol-4-yl)quinoxaline-2-carboxamide
SMILESCc1[nH]nc(-c2ccccc2)c1NC(=O)c1cnc2ccccc2n1
InChIInChI=1S/C19H15N5O/c1-12-17(18(24-23-12)13-7-3-2-4-8-13)22-19(25)16-11-20-14-9-5-6-10-15(14)21-16/h2-11H,1H3,(H,22,25)(H,23,24)
InChIKeyCEKKQFZISCAJAC-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.58
Rot. Bonds3

About N-(5-methyl-3-phenyl-1H-pyrazol-4-yl)quinoxaline-2-carboxamide

N-(5-methyl-3-phenyl-1H-pyrazol-4-yl)quinoxaline-2-carboxamide (PubChem CID 71418294) has the molecular formula C19H15N5O and a molecular weight of 329.36 g/mol. Its IUPAC name is N-(5-methyl-3-phenyl-1H-pyrazol-4-yl)quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-3-phenyl-1H-pyrazol-4-yl)quinoxaline-2-carboxamide
PubChem CID71418294
Molecular FormulaC19H15N5O
Molecular Weight329.36 g/mol
Exact Mass329.13
IUPAC NameN-(5-methyl-3-phenyl-1H-pyrazol-4-yl)quinoxaline-2-carboxamide
SMILESCc1[nH]nc(-c2ccccc2)c1NC(=O)c1cnc2ccccc2n1
InChIInChI=1S/C19H15N5O/c1-12-17(18(24-23-12)13-7-3-2-4-8-13)22-19(25)16-11-20-14-9-5-6-10-15(14)21-16/h2-11H,1H3,(H,22,25)(H,23,24)
InChIKeyCEKKQFZISCAJAC-UHFFFAOYSA-N
XLogP3.58
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-3-phenyl-1H-pyrazol-4-yl)quinoxaline-2-carboxamide?
The IUPAC name of N-(5-methyl-3-phenyl-1H-pyrazol-4-yl)quinoxaline-2-carboxamide (CID 71418294) is N-(5-methyl-3-phenyl-1H-pyrazol-4-yl)quinoxaline-2-carboxamide.
What is the SMILES notation for N-(5-methyl-3-phenyl-1H-pyrazol-4-yl)quinoxaline-2-carboxamide?
The canonical SMILES for N-(5-methyl-3-phenyl-1H-pyrazol-4-yl)quinoxaline-2-carboxamide is Cc1[nH]nc(-c2ccccc2)c1NC(=O)c1cnc2ccccc2n1.
What is the InChIKey of N-(5-methyl-3-phenyl-1H-pyrazol-4-yl)quinoxaline-2-carboxamide?
The InChIKey is CEKKQFZISCAJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O/c1-12-17(18(24-23-12)13-7-3-2-4-8-13)22-19(25)16-11-20-14-9-5-6-10-15(14)21-16/h2-11H,1H3,(H,22,25)(H,23,24).
What are the key properties of N-(5-methyl-3-phenyl-1H-pyrazol-4-yl)quinoxaline-2-carboxamide?
N-(5-methyl-3-phenyl-1H-pyrazol-4-yl)quinoxaline-2-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-3-phenyl-1H-pyrazol-4-yl)quinoxaline-2-carboxamide is sourced from PubChem (CID 71418294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).