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

C19H16ClN3O3 — CID 20880007

IUPACN-(5-chloro-2-methoxyphenyl)-2-(4H-chromeno[3,4-d]pyrazol-1-yl)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)Cn1ncc2c1-c1ccccc1OC2
InChIInChI=1S/C19H16ClN3O3/c1-25-17-7-6-13(20)8-15(17)22-18(24)10-23-19-12(9-21-23)11-26-16-5-3-2-4-14(16)19/h2-9H,10-11H2,1H3,(H,22,24)
InChIKeyVEKNGJQLNRFSNX-UHFFFAOYSA-N
MW369.81 g/mol
LogP3.74
Rot. Bonds4

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

N-(5-chloro-2-methoxyphenyl)-2-(4H-chromeno[3,4-d]pyrazol-1-yl)acetamide (PubChem CID 20880007) has the molecular formula C19H16ClN3O3 and a molecular weight of 369.81 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-(4H-chromeno[3,4-d]pyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-(4H-chromeno[3,4-d]pyrazol-1-yl)acetamide
PubChem CID20880007
Molecular FormulaC19H16ClN3O3
Molecular Weight369.81 g/mol
Exact Mass369.09
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-(4H-chromeno[3,4-d]pyrazol-1-yl)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)Cn1ncc2c1-c1ccccc1OC2
InChIInChI=1S/C19H16ClN3O3/c1-25-17-7-6-13(20)8-15(17)22-18(24)10-23-19-12(9-21-23)11-26-16-5-3-2-4-14(16)19/h2-9H,10-11H2,1H3,(H,22,24)
InChIKeyVEKNGJQLNRFSNX-UHFFFAOYSA-N
XLogP3.74
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.81
LogP ≤ 53.74
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-(4H-chromeno[3,4-d]pyrazol-1-yl)acetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(4H-chromeno[3,4-d]pyrazol-1-yl)acetamide (CID 20880007) is N-(5-chloro-2-methoxyphenyl)-2-(4H-chromeno[3,4-d]pyrazol-1-yl)acetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-(4H-chromeno[3,4-d]pyrazol-1-yl)acetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-(4H-chromeno[3,4-d]pyrazol-1-yl)acetamide is COc1ccc(Cl)cc1NC(=O)Cn1ncc2c1-c1ccccc1OC2.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-(4H-chromeno[3,4-d]pyrazol-1-yl)acetamide?
The InChIKey is VEKNGJQLNRFSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O3/c1-25-17-7-6-13(20)8-15(17)22-18(24)10-23-19-12(9-21-23)11-26-16-5-3-2-4-14(16)19/h2-9H,10-11H2,1H3,(H,22,24).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-(4H-chromeno[3,4-d]pyrazol-1-yl)acetamide?
N-(5-chloro-2-methoxyphenyl)-2-(4H-chromeno[3,4-d]pyrazol-1-yl)acetamide has a molecular weight of 369.81 g/mol, XLogP of 3.74, 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-(4H-chromeno[3,4-d]pyrazol-1-yl)acetamide is sourced from PubChem (CID 20880007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).