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

C20H18ClN3O3 — CID 20882044

IUPACN-(5-chloro-2-methoxyphenyl)-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)Cn1ncc2c1-c1cc(C)ccc1OC2
InChIInChI=1S/C20H18ClN3O3/c1-12-3-5-17-15(7-12)20-13(11-27-17)9-22-24(20)10-19(25)23-16-8-14(21)4-6-18(16)26-2/h3-9H,10-11H2,1-2H3,(H,23,25)
InChIKeyZZMAINBEQZVUOI-UHFFFAOYSA-N
MW383.84 g/mol
LogP4.05
Rot. Bonds4

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

N-(5-chloro-2-methoxyphenyl)-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide (PubChem CID 20882044) has the molecular formula C20H18ClN3O3 and a molecular weight of 383.84 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide
PubChem CID20882044
Molecular FormulaC20H18ClN3O3
Molecular Weight383.84 g/mol
Exact Mass383.10
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)Cn1ncc2c1-c1cc(C)ccc1OC2
InChIInChI=1S/C20H18ClN3O3/c1-12-3-5-17-15(7-12)20-13(11-27-17)9-22-24(20)10-19(25)23-16-8-14(21)4-6-18(16)26-2/h3-9H,10-11H2,1-2H3,(H,23,25)
InChIKeyZZMAINBEQZVUOI-UHFFFAOYSA-N
XLogP4.05
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide (CID 20882044) is N-(5-chloro-2-methoxyphenyl)-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide is COc1ccc(Cl)cc1NC(=O)Cn1ncc2c1-c1cc(C)ccc1OC2.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide?
The InChIKey is ZZMAINBEQZVUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O3/c1-12-3-5-17-15(7-12)20-13(11-27-17)9-22-24(20)10-19(25)23-16-8-14(21)4-6-18(16)26-2/h3-9H,10-11H2,1-2H3,(H,23,25).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide?
N-(5-chloro-2-methoxyphenyl)-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide has a molecular weight of 383.84 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide is sourced from PubChem (CID 20882044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).