N-(2-cyanoethyl)-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)-N-phenylacetamide

C22H20N4O2 — CID 5307428

IUPACN-(2-cyanoethyl)-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)-N-phenylacetamide
SMILESCc1ccc2c(c1)-c1c(cnn1CC(=O)N(CCC#N)c1ccccc1)CO2
InChIInChI=1S/C22H20N4O2/c1-16-8-9-20-19(12-16)22-17(15-28-20)13-24-26(22)14-21(27)25(11-5-10-23)18-6-3-2-4-7-18/h2-4,6-9,12-13H,5,11,14-15H2,1H3
InChIKeyDJOXCZMIEMKRSO-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.70
Rot. Bonds5

About N-(2-cyanoethyl)-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)-N-phenylacetamide

N-(2-cyanoethyl)-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)-N-phenylacetamide (PubChem CID 5307428) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)-N-phenylacetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)-N-phenylacetamide
PubChem CID5307428
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC NameN-(2-cyanoethyl)-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)-N-phenylacetamide
SMILESCc1ccc2c(c1)-c1c(cnn1CC(=O)N(CCC#N)c1ccccc1)CO2
InChIInChI=1S/C22H20N4O2/c1-16-8-9-20-19(12-16)22-17(15-28-20)13-24-26(22)14-21(27)25(11-5-10-23)18-6-3-2-4-7-18/h2-4,6-9,12-13H,5,11,14-15H2,1H3
InChIKeyDJOXCZMIEMKRSO-UHFFFAOYSA-N
XLogP3.70
TPSA71.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)-N-phenylacetamide?
The IUPAC name of N-(2-cyanoethyl)-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)-N-phenylacetamide (CID 5307428) is N-(2-cyanoethyl)-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)-N-phenylacetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)-N-phenylacetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)-N-phenylacetamide is Cc1ccc2c(c1)-c1c(cnn1CC(=O)N(CCC#N)c1ccccc1)CO2.
What is the InChIKey of N-(2-cyanoethyl)-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)-N-phenylacetamide?
The InChIKey is DJOXCZMIEMKRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-16-8-9-20-19(12-16)22-17(15-28-20)13-24-26(22)14-21(27)25(11-5-10-23)18-6-3-2-4-7-18/h2-4,6-9,12-13H,5,11,14-15H2,1H3.
What are the key properties of N-(2-cyanoethyl)-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)-N-phenylacetamide?
N-(2-cyanoethyl)-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)-N-phenylacetamide has a molecular weight of 372.43 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)-N-phenylacetamide is sourced from PubChem (CID 5307428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).