2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(3,4-dimethylphenyl)-N-methylacetamide

C21H21N3O2 — CID 20880071

IUPAC2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(3,4-dimethylphenyl)-N-methylacetamide
SMILESCc1ccc(N(C)C(=O)Cn2ncc3c2-c2ccccc2OC3)cc1C
InChIInChI=1S/C21H21N3O2/c1-14-8-9-17(10-15(14)2)23(3)20(25)12-24-21-16(11-22-24)13-26-19-7-5-4-6-18(19)21/h4-11H,12-13H2,1-3H3
InChIKeyZFQCLEAGNHFCRM-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.72
Rot. Bonds3

About 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(3,4-dimethylphenyl)-N-methylacetamide

2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(3,4-dimethylphenyl)-N-methylacetamide (PubChem CID 20880071) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(3,4-dimethylphenyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(3,4-dimethylphenyl)-N-methylacetamide
PubChem CID20880071
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(3,4-dimethylphenyl)-N-methylacetamide
SMILESCc1ccc(N(C)C(=O)Cn2ncc3c2-c2ccccc2OC3)cc1C
InChIInChI=1S/C21H21N3O2/c1-14-8-9-17(10-15(14)2)23(3)20(25)12-24-21-16(11-22-24)13-26-19-7-5-4-6-18(19)21/h4-11H,12-13H2,1-3H3
InChIKeyZFQCLEAGNHFCRM-UHFFFAOYSA-N
XLogP3.72
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(3,4-dimethylphenyl)-N-methylacetamide?
The IUPAC name of 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(3,4-dimethylphenyl)-N-methylacetamide (CID 20880071) is 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(3,4-dimethylphenyl)-N-methylacetamide.
What is the SMILES notation for 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(3,4-dimethylphenyl)-N-methylacetamide?
The canonical SMILES for 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(3,4-dimethylphenyl)-N-methylacetamide is Cc1ccc(N(C)C(=O)Cn2ncc3c2-c2ccccc2OC3)cc1C.
What is the InChIKey of 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(3,4-dimethylphenyl)-N-methylacetamide?
The InChIKey is ZFQCLEAGNHFCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-14-8-9-17(10-15(14)2)23(3)20(25)12-24-21-16(11-22-24)13-26-19-7-5-4-6-18(19)21/h4-11H,12-13H2,1-3H3.
What are the key properties of 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(3,4-dimethylphenyl)-N-methylacetamide?
2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(3,4-dimethylphenyl)-N-methylacetamide has a molecular weight of 347.42 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(3,4-dimethylphenyl)-N-methylacetamide is sourced from PubChem (CID 20880071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).