6-chloro-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2H-chromene-3-carboxamide

C22H20ClN3O4 — CID 55442046

IUPAC6-chloro-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2H-chromene-3-carboxamide
SMILESCOc1cccc(Cn2nccc2NC(=O)C2=Cc3cc(Cl)ccc3OC2)c1OC
InChIInChI=1S/C22H20ClN3O4/c1-28-19-5-3-4-14(21(19)29-2)12-26-20(8-9-24-26)25-22(27)16-10-15-11-17(23)6-7-18(15)30-13-16/h3-11H,12-13H2,1-2H3,(H,25,27)
InChIKeyMDSFLMNKIMVSEO-UHFFFAOYSA-N
MW425.87 g/mol
LogP4.02
Rot. Bonds6

About 6-chloro-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2H-chromene-3-carboxamide

6-chloro-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2H-chromene-3-carboxamide (PubChem CID 55442046) has the molecular formula C22H20ClN3O4 and a molecular weight of 425.87 g/mol. Its IUPAC name is 6-chloro-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2H-chromene-3-carboxamide
PubChem CID55442046
Molecular FormulaC22H20ClN3O4
Molecular Weight425.87 g/mol
Exact Mass425.11
IUPAC Name6-chloro-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2H-chromene-3-carboxamide
SMILESCOc1cccc(Cn2nccc2NC(=O)C2=Cc3cc(Cl)ccc3OC2)c1OC
InChIInChI=1S/C22H20ClN3O4/c1-28-19-5-3-4-14(21(19)29-2)12-26-20(8-9-24-26)25-22(27)16-10-15-11-17(23)6-7-18(15)30-13-16/h3-11H,12-13H2,1-2H3,(H,25,27)
InChIKeyMDSFLMNKIMVSEO-UHFFFAOYSA-N
XLogP4.02
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.87
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-bromo-4-chlorophenoxy)-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]acetamide
CID 43033838
2-(3-chlorophenyl)-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-1,3-thiazole-4-carboxamide
CID 112799143
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-4-methylsulfanylbenzamide
CID 78820639
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-3,4,5-triethoxybenzamide
CID 55435038
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-4-phenoxybenzamide
CID 52523207
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-ethoxypyridine-3-carboxamide
CID 26470200
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(3-fluorophenyl)acetamide
CID 51248461
3-cyano-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]benzamide
CID 18096334
6-chloro-N-(2-ethylphenyl)-2H-chromene-3-carboxamide
CID 16652197
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]pentanamide
CID 51248422
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2,4,5-trimethoxybenzamide
CID 55435526
6-chloro-N-ethoxy-2H-chromene-3-carboxamide
CID 60700765

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2H-chromene-3-carboxamide?
The IUPAC name of 6-chloro-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2H-chromene-3-carboxamide (CID 55442046) is 6-chloro-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2H-chromene-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2H-chromene-3-carboxamide?
The canonical SMILES for 6-chloro-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2H-chromene-3-carboxamide is COc1cccc(Cn2nccc2NC(=O)C2=Cc3cc(Cl)ccc3OC2)c1OC.
What is the InChIKey of 6-chloro-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2H-chromene-3-carboxamide?
The InChIKey is MDSFLMNKIMVSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O4/c1-28-19-5-3-4-14(21(19)29-2)12-26-20(8-9-24-26)25-22(27)16-10-15-11-17(23)6-7-18(15)30-13-16/h3-11H,12-13H2,1-2H3,(H,25,27).
What are the key properties of 6-chloro-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2H-chromene-3-carboxamide?
6-chloro-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2H-chromene-3-carboxamide has a molecular weight of 425.87 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2H-chromene-3-carboxamide is sourced from PubChem (CID 55442046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).