2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)-N-[2-(3-methylphenyl)ethyl]acetamide

C22H23N3O2 — CID 20882192

IUPAC2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)-N-[2-(3-methylphenyl)ethyl]acetamide
SMILESCc1cccc(CCNC(=O)Cn2ncc3c2-c2cc(C)ccc2OC3)c1
InChIInChI=1S/C22H23N3O2/c1-15-4-3-5-17(10-15)8-9-23-21(26)13-25-22-18(12-24-25)14-27-20-7-6-16(2)11-19(20)22/h3-7,10-12H,8-9,13-14H2,1-2H3,(H,23,26)
InChIKeyHNUSWBRVKZBLAD-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.42
Rot. Bonds5

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

2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)-N-[2-(3-methylphenyl)ethyl]acetamide (PubChem CID 20882192) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)-N-[2-(3-methylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)-N-[2-(3-methylphenyl)ethyl]acetamide
PubChem CID20882192
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)-N-[2-(3-methylphenyl)ethyl]acetamide
SMILESCc1cccc(CCNC(=O)Cn2ncc3c2-c2cc(C)ccc2OC3)c1
InChIInChI=1S/C22H23N3O2/c1-15-4-3-5-17(10-15)8-9-23-21(26)13-25-22-18(12-24-25)14-27-20-7-6-16(2)11-19(20)22/h3-7,10-12H,8-9,13-14H2,1-2H3,(H,23,26)
InChIKeyHNUSWBRVKZBLAD-UHFFFAOYSA-N
XLogP3.42
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

AL-38022A
CID 12985378
(8-methylchromeno[4,3-c]pyrazol-1(4H)-yl)acetic acid
CID 3237542
1-[3-[(2-fluorophenyl)methyl]-1,3-diazinan-1-yl]-2-(8-methyl-4H-chromeno[4,3-c]pyrazol-1-yl)ethanone
CID 5307758
N-(2-acetamidoethyl)-N-benzyl-8-cyclopropyl-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
CID 122657467
N-(2-acetamidoethyl)-N-benzyl-8-ethenyl-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
CID 122657470
N-(2-acetamidoethyl)-N-benzyl-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
CID 122657485
N-(2-acetamidoethyl)-N-benzyl-8-butan-2-yl-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
CID 122657507
N-(2-acetamidoethyl)-N-benzyl-8-iodo-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
CID 122657534
2-{8-Methyl-4-oxo-1H,4H-chromeno[4,3-C]pyrazol-1-YL}-N-[3-(propan-2-yloxy)propyl]acetamide
CID 5307174
N-(3-ethoxypropyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
CID 5307334
2-{8-Methyl-4-oxo-1H,4H-chromeno[4,3-C]pyrazol-1-YL}-N-(3-methylbutyl)acetamide
CID 5307669
2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(2,3-dihydroindol-1-yl)ethanone
CID 5307830

Frequently Asked Questions

What is the IUPAC name of 2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)-N-[2-(3-methylphenyl)ethyl]acetamide?
The IUPAC name of 2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)-N-[2-(3-methylphenyl)ethyl]acetamide (CID 20882192) is 2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)-N-[2-(3-methylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)-N-[2-(3-methylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)-N-[2-(3-methylphenyl)ethyl]acetamide is Cc1cccc(CCNC(=O)Cn2ncc3c2-c2cc(C)ccc2OC3)c1.
What is the InChIKey of 2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)-N-[2-(3-methylphenyl)ethyl]acetamide?
The InChIKey is HNUSWBRVKZBLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-15-4-3-5-17(10-15)8-9-23-21(26)13-25-22-18(12-24-25)14-27-20-7-6-16(2)11-19(20)22/h3-7,10-12H,8-9,13-14H2,1-2H3,(H,23,26).
What are the key properties of 2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)-N-[2-(3-methylphenyl)ethyl]acetamide?
2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)-N-[2-(3-methylphenyl)ethyl]acetamide has a molecular weight of 361.45 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)-N-[2-(3-methylphenyl)ethyl]acetamide is sourced from PubChem (CID 20882192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).