N-(3-methoxyphenyl)-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide

C19H17N3O3 — CID 22516809

IUPACN-(3-methoxyphenyl)-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
SMILESCOc1cccc(NC(=O)c2nn(C)c3c2COc2ccccc2-3)c1
InChIInChI=1S/C19H17N3O3/c1-22-18-14-8-3-4-9-16(14)25-11-15(18)17(21-22)19(23)20-12-6-5-7-13(10-12)24-2/h3-10H,11H2,1-2H3,(H,20,23)
InChIKeyFELLIVNRDRXFOB-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.24
Rot. Bonds3

About N-(3-methoxyphenyl)-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide

N-(3-methoxyphenyl)-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide (PubChem CID 22516809) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
PubChem CID22516809
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC NameN-(3-methoxyphenyl)-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
SMILESCOc1cccc(NC(=O)c2nn(C)c3c2COc2ccccc2-3)c1
InChIInChI=1S/C19H17N3O3/c1-22-18-14-8-3-4-9-16(14)25-11-15(18)17(21-22)19(23)20-12-6-5-7-13(10-12)24-2/h3-10H,11H2,1-2H3,(H,20,23)
InChIKeyFELLIVNRDRXFOB-UHFFFAOYSA-N
XLogP3.24
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide (CID 22516809) is N-(3-methoxyphenyl)-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide is COc1cccc(NC(=O)c2nn(C)c3c2COc2ccccc2-3)c1.
What is the InChIKey of N-(3-methoxyphenyl)-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
The InChIKey is FELLIVNRDRXFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-22-18-14-8-3-4-9-16(14)25-11-15(18)17(21-22)19(23)20-12-6-5-7-13(10-12)24-2/h3-10H,11H2,1-2H3,(H,20,23).
What are the key properties of N-(3-methoxyphenyl)-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
N-(3-methoxyphenyl)-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide has a molecular weight of 335.36 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide is sourced from PubChem (CID 22516809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).