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

C19H16FN3O2 — CID 20880002

IUPAC2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2ncc3c2-c2ccccc2OC3)cc1F
InChIInChI=1S/C19H16FN3O2/c1-12-6-7-14(8-16(12)20)22-18(24)10-23-19-13(9-21-23)11-25-17-5-3-2-4-15(17)19/h2-9H,10-11H2,1H3,(H,22,24)
InChIKeyXKVZZWHTRNAZCC-UHFFFAOYSA-N
MW337.35 g/mol
LogP3.53
Rot. Bonds3

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

2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide (PubChem CID 20880002) has the molecular formula C19H16FN3O2 and a molecular weight of 337.35 g/mol. Its IUPAC name is 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide
PubChem CID20880002
Molecular FormulaC19H16FN3O2
Molecular Weight337.35 g/mol
Exact Mass337.12
IUPAC Name2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2ncc3c2-c2ccccc2OC3)cc1F
InChIInChI=1S/C19H16FN3O2/c1-12-6-7-14(8-16(12)20)22-18(24)10-23-19-13(9-21-23)11-25-17-5-3-2-4-15(17)19/h2-9H,10-11H2,1H3,(H,22,24)
InChIKeyXKVZZWHTRNAZCC-UHFFFAOYSA-N
XLogP3.53
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 53.53
H-Bond Donors ≤ 51
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-fluoro-4-methylphenyl)acetamide?
The IUPAC name of 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide (CID 20880002) is 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide?
The canonical SMILES for 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide is Cc1ccc(NC(=O)Cn2ncc3c2-c2ccccc2OC3)cc1F.
What is the InChIKey of 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide?
The InChIKey is XKVZZWHTRNAZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O2/c1-12-6-7-14(8-16(12)20)22-18(24)10-23-19-13(9-21-23)11-25-17-5-3-2-4-15(17)19/h2-9H,10-11H2,1H3,(H,22,24).
What are the key properties of 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide?
2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide has a molecular weight of 337.35 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 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-fluoro-4-methylphenyl)acetamide is sourced from PubChem (CID 20880002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).