N-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]quinoxaline-2-carboxamide

C22H21N5O — CID 46107928

IUPACN-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]quinoxaline-2-carboxamide
SMILESCc1cc(NC(=O)c2cnc3ccccc3n2)nn1-c1ccc(C(C)C)cc1
InChIInChI=1S/C22H21N5O/c1-14(2)16-8-10-17(11-9-16)27-15(3)12-21(26-27)25-22(28)20-13-23-18-6-4-5-7-19(18)24-20/h4-14H,1-3H3,(H,25,26,28)
InChIKeyFVEJEDSDOWCHCH-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.50
Rot. Bonds4

About N-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]quinoxaline-2-carboxamide

N-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]quinoxaline-2-carboxamide (PubChem CID 46107928) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]quinoxaline-2-carboxamide
PubChem CID46107928
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC NameN-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]quinoxaline-2-carboxamide
SMILESCc1cc(NC(=O)c2cnc3ccccc3n2)nn1-c1ccc(C(C)C)cc1
InChIInChI=1S/C22H21N5O/c1-14(2)16-8-10-17(11-9-16)27-15(3)12-21(26-27)25-22(28)20-13-23-18-6-4-5-7-19(18)24-20/h4-14H,1-3H3,(H,25,26,28)
InChIKeyFVEJEDSDOWCHCH-UHFFFAOYSA-N
XLogP4.50
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]quinoxaline-2-carboxamide?
The IUPAC name of N-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]quinoxaline-2-carboxamide (CID 46107928) is N-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]quinoxaline-2-carboxamide.
What is the SMILES notation for N-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]quinoxaline-2-carboxamide?
The canonical SMILES for N-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]quinoxaline-2-carboxamide is Cc1cc(NC(=O)c2cnc3ccccc3n2)nn1-c1ccc(C(C)C)cc1.
What is the InChIKey of N-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]quinoxaline-2-carboxamide?
The InChIKey is FVEJEDSDOWCHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c1-14(2)16-8-10-17(11-9-16)27-15(3)12-21(26-27)25-22(28)20-13-23-18-6-4-5-7-19(18)24-20/h4-14H,1-3H3,(H,25,26,28).
What are the key properties of N-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]quinoxaline-2-carboxamide?
N-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]quinoxaline-2-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]quinoxaline-2-carboxamide is sourced from PubChem (CID 46107928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).