N-(5-chloro-2-methoxyphenyl)-N-methyl-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide

C21H20ClN3O3 — CID 20882130

IUPACN-(5-chloro-2-methoxyphenyl)-N-methyl-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide
SMILESCOc1ccc(Cl)cc1N(C)C(=O)Cn1ncc2c1-c1cc(C)ccc1OC2
InChIInChI=1S/C21H20ClN3O3/c1-13-4-6-18-16(8-13)21-14(12-28-18)10-23-25(21)11-20(26)24(2)17-9-15(22)5-7-19(17)27-3/h4-10H,11-12H2,1-3H3
InChIKeyNUQAGMXFNBNOAN-UHFFFAOYSA-N
MW397.86 g/mol
LogP4.08
Rot. Bonds4

About N-(5-chloro-2-methoxyphenyl)-N-methyl-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide

N-(5-chloro-2-methoxyphenyl)-N-methyl-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide (PubChem CID 20882130) has the molecular formula C21H20ClN3O3 and a molecular weight of 397.86 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-N-methyl-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-N-methyl-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide
PubChem CID20882130
Molecular FormulaC21H20ClN3O3
Molecular Weight397.86 g/mol
Exact Mass397.12
IUPAC NameN-(5-chloro-2-methoxyphenyl)-N-methyl-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide
SMILESCOc1ccc(Cl)cc1N(C)C(=O)Cn1ncc2c1-c1cc(C)ccc1OC2
InChIInChI=1S/C21H20ClN3O3/c1-13-4-6-18-16(8-13)21-14(12-28-18)10-23-25(21)11-20(26)24(2)17-9-15(22)5-7-19(17)27-3/h4-10H,11-12H2,1-3H3
InChIKeyNUQAGMXFNBNOAN-UHFFFAOYSA-N
XLogP4.08
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.86
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-N-methyl-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-N-methyl-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide (CID 20882130) is N-(5-chloro-2-methoxyphenyl)-N-methyl-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-N-methyl-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-N-methyl-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide is COc1ccc(Cl)cc1N(C)C(=O)Cn1ncc2c1-c1cc(C)ccc1OC2.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-N-methyl-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide?
The InChIKey is NUQAGMXFNBNOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O3/c1-13-4-6-18-16(8-13)21-14(12-28-18)10-23-25(21)11-20(26)24(2)17-9-15(22)5-7-19(17)27-3/h4-10H,11-12H2,1-3H3.
What are the key properties of N-(5-chloro-2-methoxyphenyl)-N-methyl-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide?
N-(5-chloro-2-methoxyphenyl)-N-methyl-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide has a molecular weight of 397.86 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-N-methyl-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide is sourced from PubChem (CID 20882130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).