N-[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-yl]quinoxaline-5-carboxamide

C21H19N5O4 — CID 157019775

IUPACN-[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-yl]quinoxaline-5-carboxamide
SMILESCOc1cc(-c2cc(NC(=O)c3cccc4nccnc34)n[nH]2)cc(OC)c1OC
InChIInChI=1S/C21H19N5O4/c1-28-16-9-12(10-17(29-2)20(16)30-3)15-11-18(26-25-15)24-21(27)13-5-4-6-14-19(13)23-8-7-22-14/h4-11H,1-3H3,(H2,24,25,26,27)
InChIKeyMLNZJPLGCOQVGV-UHFFFAOYSA-N
MW405.41 g/mol
LogP3.30
Rot. Bonds6

About N-[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-yl]quinoxaline-5-carboxamide

N-[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-yl]quinoxaline-5-carboxamide (PubChem CID 157019775) has the molecular formula C21H19N5O4 and a molecular weight of 405.41 g/mol. Its IUPAC name is N-[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-yl]quinoxaline-5-carboxamide.

Molecular Properties

Compound NameN-[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-yl]quinoxaline-5-carboxamide
PubChem CID157019775
Molecular FormulaC21H19N5O4
Molecular Weight405.41 g/mol
Exact Mass405.14
IUPAC NameN-[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-yl]quinoxaline-5-carboxamide
SMILESCOc1cc(-c2cc(NC(=O)c3cccc4nccnc34)n[nH]2)cc(OC)c1OC
InChIInChI=1S/C21H19N5O4/c1-28-16-9-12(10-17(29-2)20(16)30-3)15-11-18(26-25-15)24-21(27)13-5-4-6-14-19(13)23-8-7-22-14/h4-11H,1-3H3,(H2,24,25,26,27)
InChIKeyMLNZJPLGCOQVGV-UHFFFAOYSA-N
XLogP3.30
TPSA111.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.41
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-yl]quinoxaline-5-carboxamide?
The IUPAC name of N-[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-yl]quinoxaline-5-carboxamide (CID 157019775) is N-[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-yl]quinoxaline-5-carboxamide.
What is the SMILES notation for N-[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-yl]quinoxaline-5-carboxamide?
The canonical SMILES for N-[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-yl]quinoxaline-5-carboxamide is COc1cc(-c2cc(NC(=O)c3cccc4nccnc34)n[nH]2)cc(OC)c1OC.
What is the InChIKey of N-[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-yl]quinoxaline-5-carboxamide?
The InChIKey is MLNZJPLGCOQVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O4/c1-28-16-9-12(10-17(29-2)20(16)30-3)15-11-18(26-25-15)24-21(27)13-5-4-6-14-19(13)23-8-7-22-14/h4-11H,1-3H3,(H2,24,25,26,27).
What are the key properties of N-[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-yl]quinoxaline-5-carboxamide?
N-[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-yl]quinoxaline-5-carboxamide has a molecular weight of 405.41 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-yl]quinoxaline-5-carboxamide is sourced from PubChem (CID 157019775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).