N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-3-methylquinoxalin-2-amine

C20H19N5O — CID 133309651

IUPACN-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-3-methylquinoxalin-2-amine
SMILESCOc1ccc(-n2ccc(CNc3nc4ccccc4nc3C)n2)cc1
InChIInChI=1S/C20H19N5O/c1-14-20(23-19-6-4-3-5-18(19)22-14)21-13-15-11-12-25(24-15)16-7-9-17(26-2)10-8-16/h3-12H,13H2,1-2H3,(H,21,23)
InChIKeyGZAJTLBAWCSXLT-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.74
Rot. Bonds5

About N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-3-methylquinoxalin-2-amine

N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-3-methylquinoxalin-2-amine (PubChem CID 133309651) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-3-methylquinoxalin-2-amine.

Molecular Properties

Compound NameN-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-3-methylquinoxalin-2-amine
PubChem CID133309651
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC NameN-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-3-methylquinoxalin-2-amine
SMILESCOc1ccc(-n2ccc(CNc3nc4ccccc4nc3C)n2)cc1
InChIInChI=1S/C20H19N5O/c1-14-20(23-19-6-4-3-5-18(19)22-14)21-13-15-11-12-25(24-15)16-7-9-17(26-2)10-8-16/h3-12H,13H2,1-2H3,(H,21,23)
InChIKeyGZAJTLBAWCSXLT-UHFFFAOYSA-N
XLogP3.74
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-3-methylquinoxalin-2-amine?
The IUPAC name of N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-3-methylquinoxalin-2-amine (CID 133309651) is N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-3-methylquinoxalin-2-amine.
What is the SMILES notation for N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-3-methylquinoxalin-2-amine?
The canonical SMILES for N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-3-methylquinoxalin-2-amine is COc1ccc(-n2ccc(CNc3nc4ccccc4nc3C)n2)cc1.
What is the InChIKey of N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-3-methylquinoxalin-2-amine?
The InChIKey is GZAJTLBAWCSXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-14-20(23-19-6-4-3-5-18(19)22-14)21-13-15-11-12-25(24-15)16-7-9-17(26-2)10-8-16/h3-12H,13H2,1-2H3,(H,21,23).
What are the key properties of N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-3-methylquinoxalin-2-amine?
N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-3-methylquinoxalin-2-amine has a molecular weight of 345.41 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-3-methylquinoxalin-2-amine is sourced from PubChem (CID 133309651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).