6-methoxy-N-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-3,4-dihydro-2H-chromene-3-carboxamide

C22H23N3O4 — CID 156584796

IUPAC6-methoxy-N-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1ccc(-n2nc(C)cc2NC(=O)C2COc3ccc(OC)cc3C2)cc1
InChIInChI=1S/C22H23N3O4/c1-14-10-21(25(24-14)17-4-6-18(27-2)7-5-17)23-22(26)16-11-15-12-19(28-3)8-9-20(15)29-13-16/h4-10,12,16H,11,13H2,1-3H3,(H,23,26)
InChIKeyKVNSNMLNILAJMQ-UHFFFAOYSA-N
MW393.44 g/mol
LogP3.39
Rot. Bonds5

About 6-methoxy-N-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-3,4-dihydro-2H-chromene-3-carboxamide

6-methoxy-N-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 156584796) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is 6-methoxy-N-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID156584796
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name6-methoxy-N-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1ccc(-n2nc(C)cc2NC(=O)C2COc3ccc(OC)cc3C2)cc1
InChIInChI=1S/C22H23N3O4/c1-14-10-21(25(24-14)17-4-6-18(27-2)7-5-17)23-22(26)16-11-15-12-19(28-3)8-9-20(15)29-13-16/h4-10,12,16H,11,13H2,1-3H3,(H,23,26)
InChIKeyKVNSNMLNILAJMQ-UHFFFAOYSA-N
XLogP3.39
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-methoxy-N-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-3,4-dihydro-2H-chromene-3-carboxamide with MolForge

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Related Compounds

N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 55480745
(3S)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 7061285
6-methoxy-N-propyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578230
6-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 46968995
6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 47170033
N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578277
(3R)-6-methoxy-N-[(1-phenyltetrazol-5-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 99978340
6-methoxy-N-[(1-phenyltetrazol-5-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 86285836
(3S)-N-(4-bromo-2-fluorophenyl)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 92713276
(3S)-N-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 124592184
6-methoxy-N-(4-pyrrolidin-1-ylpyrimidin-5-yl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 139003442
3-[(6-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]propanoic acid
CID 119350891

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of 6-methoxy-N-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 156584796) is 6-methoxy-N-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for 6-methoxy-N-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for 6-methoxy-N-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-3,4-dihydro-2H-chromene-3-carboxamide is COc1ccc(-n2nc(C)cc2NC(=O)C2COc3ccc(OC)cc3C2)cc1.
What is the InChIKey of 6-methoxy-N-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is KVNSNMLNILAJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-14-10-21(25(24-14)17-4-6-18(27-2)7-5-17)23-22(26)16-11-15-12-19(28-3)8-9-20(15)29-13-16/h4-10,12,16H,11,13H2,1-3H3,(H,23,26).
What are the key properties of 6-methoxy-N-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-3,4-dihydro-2H-chromene-3-carboxamide?
6-methoxy-N-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 393.44 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 156584796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).