2-(3,4-dihydro-2H-chromen-6-yl)-N-[3-(2-methoxyphenyl)-1-methylpyrazol-5-yl]acetamide

C22H23N3O3 — CID 46970894

IUPAC2-(3,4-dihydro-2H-chromen-6-yl)-N-[3-(2-methoxyphenyl)-1-methylpyrazol-5-yl]acetamide
SMILESCOc1ccccc1-c1cc(NC(=O)Cc2ccc3c(c2)CCCO3)n(C)n1
InChIInChI=1S/C22H23N3O3/c1-25-21(14-18(24-25)17-7-3-4-8-20(17)27-2)23-22(26)13-15-9-10-19-16(12-15)6-5-11-28-19/h3-4,7-10,12,14H,5-6,11,13H2,1-2H3,(H,23,26)
InChIKeyABLSVWHECUNVCL-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.60
Rot. Bonds5

About 2-(3,4-dihydro-2H-chromen-6-yl)-N-[3-(2-methoxyphenyl)-1-methylpyrazol-5-yl]acetamide

2-(3,4-dihydro-2H-chromen-6-yl)-N-[3-(2-methoxyphenyl)-1-methylpyrazol-5-yl]acetamide (PubChem CID 46970894) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-6-yl)-N-[3-(2-methoxyphenyl)-1-methylpyrazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-6-yl)-N-[3-(2-methoxyphenyl)-1-methylpyrazol-5-yl]acetamide
PubChem CID46970894
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name2-(3,4-dihydro-2H-chromen-6-yl)-N-[3-(2-methoxyphenyl)-1-methylpyrazol-5-yl]acetamide
SMILESCOc1ccccc1-c1cc(NC(=O)Cc2ccc3c(c2)CCCO3)n(C)n1
InChIInChI=1S/C22H23N3O3/c1-25-21(14-18(24-25)17-7-3-4-8-20(17)27-2)23-22(26)13-15-9-10-19-16(12-15)6-5-11-28-19/h3-4,7-10,12,14H,5-6,11,13H2,1-2H3,(H,23,26)
InChIKeyABLSVWHECUNVCL-UHFFFAOYSA-N
XLogP3.60
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dihydro-2H-chromen-6-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 110771131
2-(3,4-dihydro-2H-chromen-6-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 110771122
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-3-(2-methoxyphenyl)propanamide
CID 110784245
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-(2-methoxyphenoxy)acetamide
CID 110784239
3-(1,3-benzodioxol-5-yl)-N-[3-(2-methoxyphenyl)-1-methylpyrazol-5-yl]-1H-pyrazole-5-carboxamide
CID 46969654
2-(3,4-dihydro-2H-chromen-6-yl)-N-[2-[2-(dimethylamino)ethoxy]phenyl]acetamide;hydrochloride
CID 171667119
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 91831785
1-(3,4-dihydro-2H-chromen-6-yl)-2-(2-methoxyphenyl)ethanone
CID 61027750
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(2-methoxyphenyl)propanamide
CID 110792398
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-methoxybenzamide
CID 110787049
2-(3,4-dihydro-2H-chromen-6-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 110771186
methyl 3-(3,4-dihydro-2H-chromen-6-ylmethylamino)propanoate
CID 115232397

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-6-yl)-N-[3-(2-methoxyphenyl)-1-methylpyrazol-5-yl]acetamide?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-6-yl)-N-[3-(2-methoxyphenyl)-1-methylpyrazol-5-yl]acetamide (CID 46970894) is 2-(3,4-dihydro-2H-chromen-6-yl)-N-[3-(2-methoxyphenyl)-1-methylpyrazol-5-yl]acetamide.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-6-yl)-N-[3-(2-methoxyphenyl)-1-methylpyrazol-5-yl]acetamide?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-6-yl)-N-[3-(2-methoxyphenyl)-1-methylpyrazol-5-yl]acetamide is COc1ccccc1-c1cc(NC(=O)Cc2ccc3c(c2)CCCO3)n(C)n1.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-6-yl)-N-[3-(2-methoxyphenyl)-1-methylpyrazol-5-yl]acetamide?
The InChIKey is ABLSVWHECUNVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-25-21(14-18(24-25)17-7-3-4-8-20(17)27-2)23-22(26)13-15-9-10-19-16(12-15)6-5-11-28-19/h3-4,7-10,12,14H,5-6,11,13H2,1-2H3,(H,23,26).
What are the key properties of 2-(3,4-dihydro-2H-chromen-6-yl)-N-[3-(2-methoxyphenyl)-1-methylpyrazol-5-yl]acetamide?
2-(3,4-dihydro-2H-chromen-6-yl)-N-[3-(2-methoxyphenyl)-1-methylpyrazol-5-yl]acetamide has a molecular weight of 377.44 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-chromen-6-yl)-N-[3-(2-methoxyphenyl)-1-methylpyrazol-5-yl]acetamide is sourced from PubChem (CID 46970894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).