N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(ethoxymethyl)-1-benzofuran-2-carboxamide

C23H23N3O3 — CID 16575231

IUPACN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(ethoxymethyl)-1-benzofuran-2-carboxamide
SMILESCCOCc1c(C(=O)Nc2c(C)nn(-c3ccccc3)c2C)oc2ccccc12
InChIInChI=1S/C23H23N3O3/c1-4-28-14-19-18-12-8-9-13-20(18)29-22(19)23(27)24-21-15(2)25-26(16(21)3)17-10-6-5-7-11-17/h5-13H,4,14H2,1-3H3,(H,24,27)
InChIKeyMFGDVPOMTOMYRN-UHFFFAOYSA-N
MW389.46 g/mol
LogP5.02
Rot. Bonds6

About N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(ethoxymethyl)-1-benzofuran-2-carboxamide

N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(ethoxymethyl)-1-benzofuran-2-carboxamide (PubChem CID 16575231) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(ethoxymethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(ethoxymethyl)-1-benzofuran-2-carboxamide
PubChem CID16575231
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC NameN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(ethoxymethyl)-1-benzofuran-2-carboxamide
SMILESCCOCc1c(C(=O)Nc2c(C)nn(-c3ccccc3)c2C)oc2ccccc12
InChIInChI=1S/C23H23N3O3/c1-4-28-14-19-18-12-8-9-13-20(18)29-22(19)23(27)24-21-15(2)25-26(16(21)3)17-10-6-5-7-11-17/h5-13H,4,14H2,1-3H3,(H,24,27)
InChIKeyMFGDVPOMTOMYRN-UHFFFAOYSA-N
XLogP5.02
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.46
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 3-(ethoxymethyl)-1-benzofuran-2-carboxylate
CID 16520032
3-(cyclohexylsulfanylmethyl)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-benzofuran-2-carboxamide
CID 16575217
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 8531478
3-(ethoxymethyl)-N-[4-(trifluoromethoxy)phenyl]-1-benzofuran-2-carboxamide
CID 7957155
3-(ethoxymethyl)-N-(2-methoxydibenzofuran-3-yl)-1-benzofuran-2-carboxamide
CID 9098193
3-bromo-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)furan-2-carboxamide
CID 99818350
3-(2-ethoxyethoxymethyl)-1-benzofuran-2-carboxylic acid
CID 43120654
N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(ethoxymethyl)-1-benzofuran-2-carboxamide
CID 8948223
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-ethoxy-3-fluorobenzamide
CID 99812912
[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 3-(ethoxymethyl)-1-benzofuran-2-carboxylate
CID 16519960
2-(1,2-benzoxazol-3-yl)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 18122047
N-[(3-chlorophenyl)methyl]-3-(ethoxymethyl)-1-benzofuran-2-carboxamide
CID 9079515

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(ethoxymethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(ethoxymethyl)-1-benzofuran-2-carboxamide (CID 16575231) is N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(ethoxymethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(ethoxymethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(ethoxymethyl)-1-benzofuran-2-carboxamide is CCOCc1c(C(=O)Nc2c(C)nn(-c3ccccc3)c2C)oc2ccccc12.
What is the InChIKey of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(ethoxymethyl)-1-benzofuran-2-carboxamide?
The InChIKey is MFGDVPOMTOMYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-4-28-14-19-18-12-8-9-13-20(18)29-22(19)23(27)24-21-15(2)25-26(16(21)3)17-10-6-5-7-11-17/h5-13H,4,14H2,1-3H3,(H,24,27).
What are the key properties of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(ethoxymethyl)-1-benzofuran-2-carboxamide?
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(ethoxymethyl)-1-benzofuran-2-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(ethoxymethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 16575231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).