N-(4-ethoxyphenyl)-N-ethyl-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide

C22H23N3O3 — CID 22516883

IUPACN-(4-ethoxyphenyl)-N-ethyl-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
SMILESCCOc1ccc(N(CC)C(=O)c2nn(C)c3c2COc2ccccc2-3)cc1
InChIInChI=1S/C22H23N3O3/c1-4-25(15-10-12-16(13-11-15)27-5-2)22(26)20-18-14-28-19-9-7-6-8-17(19)21(18)24(3)23-20/h6-13H,4-5,14H2,1-3H3
InChIKeyPOLYTNAZEWPOAN-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.04
Rot. Bonds5

About N-(4-ethoxyphenyl)-N-ethyl-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide

N-(4-ethoxyphenyl)-N-ethyl-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide (PubChem CID 22516883) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-N-ethyl-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-N-ethyl-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
PubChem CID22516883
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC NameN-(4-ethoxyphenyl)-N-ethyl-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
SMILESCCOc1ccc(N(CC)C(=O)c2nn(C)c3c2COc2ccccc2-3)cc1
InChIInChI=1S/C22H23N3O3/c1-4-25(15-10-12-16(13-11-15)27-5-2)22(26)20-18-14-28-19-9-7-6-8-17(19)21(18)24(3)23-20/h6-13H,4-5,14H2,1-3H3
InChIKeyPOLYTNAZEWPOAN-UHFFFAOYSA-N
XLogP4.04
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-N-ethyl-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-N-ethyl-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide (CID 22516883) is N-(4-ethoxyphenyl)-N-ethyl-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-N-ethyl-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-N-ethyl-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide is CCOc1ccc(N(CC)C(=O)c2nn(C)c3c2COc2ccccc2-3)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-N-ethyl-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
The InChIKey is POLYTNAZEWPOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-4-25(15-10-12-16(13-11-15)27-5-2)22(26)20-18-14-28-19-9-7-6-8-17(19)21(18)24(3)23-20/h6-13H,4-5,14H2,1-3H3.
What are the key properties of N-(4-ethoxyphenyl)-N-ethyl-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
N-(4-ethoxyphenyl)-N-ethyl-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-N-ethyl-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide is sourced from PubChem (CID 22516883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).