N-[2-(2,5-dimethoxyphenyl)ethyl]-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide

C22H23N3O4 — CID 22517002

IUPACN-[2-(2,5-dimethoxyphenyl)ethyl]-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
SMILESCOc1ccc(OC)c(CCNC(=O)c2nn(C)c3c2COc2ccccc2-3)c1
InChIInChI=1S/C22H23N3O4/c1-25-21-16-6-4-5-7-19(16)29-13-17(21)20(24-25)22(26)23-11-10-14-12-15(27-2)8-9-18(14)28-3/h4-9,12H,10-11,13H2,1-3H3,(H,23,26)
InChIKeyJLSAACJWVSNQMN-UHFFFAOYSA-N
MW393.44 g/mol
LogP2.97
Rot. Bonds6

About N-[2-(2,5-dimethoxyphenyl)ethyl]-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide

N-[2-(2,5-dimethoxyphenyl)ethyl]-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide (PubChem CID 22517002) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is N-[2-(2,5-dimethoxyphenyl)ethyl]-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2,5-dimethoxyphenyl)ethyl]-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
PubChem CID22517002
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC NameN-[2-(2,5-dimethoxyphenyl)ethyl]-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
SMILESCOc1ccc(OC)c(CCNC(=O)c2nn(C)c3c2COc2ccccc2-3)c1
InChIInChI=1S/C22H23N3O4/c1-25-21-16-6-4-5-7-19(16)29-13-17(21)20(24-25)22(26)23-11-10-14-12-15(27-2)8-9-18(14)28-3/h4-9,12H,10-11,13H2,1-3H3,(H,23,26)
InChIKeyJLSAACJWVSNQMN-UHFFFAOYSA-N
XLogP2.97
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-dimethoxyphenyl)-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
CID 22516804
1-methyl-N-(2-thiophen-3-ylethyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide
CID 22517004
2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[2-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 20880156
N-[2-(2,5-dimethoxyphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 110699586
N-(4-ethoxyphenyl)-N-ethyl-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
CID 22516883
N-ethyl-N-(2-ethylphenyl)-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
CID 22516984
N-[2-(2,5-dimethoxyphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 110700805
N-[2-(2,5-dimethoxyphenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 110698832
N-[2-(2,5-dimethoxyphenyl)ethyl]cinnoline-3-carboxamide
CID 110705099
N-(2-acetamidoethyl)-N-benzyl-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
CID 122657485
N-[2-(2,5-dimethoxyphenyl)ethyl]-2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]benzamide
CID 24802666
N-[2-(2,5-dimethoxyphenyl)ethyl]-1-methyl-[1]benzofuro[3,2-b]pyrrole-2-carboxamide
CID 20893918

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethoxyphenyl)ethyl]-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
The IUPAC name of N-[2-(2,5-dimethoxyphenyl)ethyl]-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide (CID 22517002) is N-[2-(2,5-dimethoxyphenyl)ethyl]-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(2,5-dimethoxyphenyl)ethyl]-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
The canonical SMILES for N-[2-(2,5-dimethoxyphenyl)ethyl]-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide is COc1ccc(OC)c(CCNC(=O)c2nn(C)c3c2COc2ccccc2-3)c1.
What is the InChIKey of N-[2-(2,5-dimethoxyphenyl)ethyl]-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
The InChIKey is JLSAACJWVSNQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-25-21-16-6-4-5-7-19(16)29-13-17(21)20(24-25)22(26)23-11-10-14-12-15(27-2)8-9-18(14)28-3/h4-9,12H,10-11,13H2,1-3H3,(H,23,26).
What are the key properties of N-[2-(2,5-dimethoxyphenyl)ethyl]-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
N-[2-(2,5-dimethoxyphenyl)ethyl]-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide has a molecular weight of 393.44 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethoxyphenyl)ethyl]-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide is sourced from PubChem (CID 22517002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).