N-ethyl-N-(2-ethylphenyl)-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide

C22H23N3O2 — CID 22516984

IUPACN-ethyl-N-(2-ethylphenyl)-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
SMILESCCc1ccccc1N(CC)C(=O)c1nn(C)c2c1COc1ccccc1-2
InChIInChI=1S/C22H23N3O2/c1-4-15-10-6-8-12-18(15)25(5-2)22(26)20-17-14-27-19-13-9-7-11-16(19)21(17)24(3)23-20/h6-13H,4-5,14H2,1-3H3
InChIKeyBXKWWBJWCIIYJY-UHFFFAOYSA-N
MW361.44 g/mol
LogP4.21
Rot. Bonds4

About N-ethyl-N-(2-ethylphenyl)-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide

N-ethyl-N-(2-ethylphenyl)-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide (PubChem CID 22516984) has the molecular formula C22H23N3O2 and a molecular weight of 361.44 g/mol. Its IUPAC name is N-ethyl-N-(2-ethylphenyl)-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(2-ethylphenyl)-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
PubChem CID22516984
Molecular FormulaC22H23N3O2
Molecular Weight361.44 g/mol
Exact Mass361.18
IUPAC NameN-ethyl-N-(2-ethylphenyl)-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
SMILESCCc1ccccc1N(CC)C(=O)c1nn(C)c2c1COc1ccccc1-2
InChIInChI=1S/C22H23N3O2/c1-4-15-10-6-8-12-18(15)25(5-2)22(26)20-17-14-27-19-13-9-7-11-16(19)21(17)24(3)23-20/h6-13H,4-5,14H2,1-3H3
InChIKeyBXKWWBJWCIIYJY-UHFFFAOYSA-N
XLogP4.21
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-ethylphenyl)-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
The IUPAC name of N-ethyl-N-(2-ethylphenyl)-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide (CID 22516984) is N-ethyl-N-(2-ethylphenyl)-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide.
What is the SMILES notation for N-ethyl-N-(2-ethylphenyl)-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
The canonical SMILES for N-ethyl-N-(2-ethylphenyl)-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide is CCc1ccccc1N(CC)C(=O)c1nn(C)c2c1COc1ccccc1-2.
What is the InChIKey of N-ethyl-N-(2-ethylphenyl)-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
The InChIKey is BXKWWBJWCIIYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-4-15-10-6-8-12-18(15)25(5-2)22(26)20-17-14-27-19-13-9-7-11-16(19)21(17)24(3)23-20/h6-13H,4-5,14H2,1-3H3.
What are the key properties of N-ethyl-N-(2-ethylphenyl)-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
N-ethyl-N-(2-ethylphenyl)-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide has a molecular weight of 361.44 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-ethylphenyl)-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide is sourced from PubChem (CID 22516984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).