N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-2,3-dihydro-1-benzofuran-7-carboxamide

C18H23N3O2 — CID 138026295

IUPACN-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-2,3-dihydro-1-benzofuran-7-carboxamide
SMILESCc1nn(C)c(C)c1CC(C)NC(=O)c1cccc2c1OCC2
InChIInChI=1S/C18H23N3O2/c1-11(10-16-12(2)20-21(4)13(16)3)19-18(22)15-7-5-6-14-8-9-23-17(14)15/h5-7,11H,8-10H2,1-4H3,(H,19,22)
InChIKeyMLBZYVIJDFDJJW-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.33
Rot. Bonds4

About N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-2,3-dihydro-1-benzofuran-7-carboxamide

N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-2,3-dihydro-1-benzofuran-7-carboxamide (PubChem CID 138026295) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-2,3-dihydro-1-benzofuran-7-carboxamide.

Molecular Properties

Compound NameN-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-2,3-dihydro-1-benzofuran-7-carboxamide
PubChem CID138026295
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-2,3-dihydro-1-benzofuran-7-carboxamide
SMILESCc1nn(C)c(C)c1CC(C)NC(=O)c1cccc2c1OCC2
InChIInChI=1S/C18H23N3O2/c1-11(10-16-12(2)20-21(4)13(16)3)19-18(22)15-7-5-6-14-8-9-23-17(14)15/h5-7,11H,8-10H2,1-4H3,(H,19,22)
InChIKeyMLBZYVIJDFDJJW-UHFFFAOYSA-N
XLogP2.33
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105189342
4-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]benzene-1,4-dicarboxamide
CID 119138224
6-(3-methoxyphenyl)-2-oxo-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-1H-pyridine-3-carboxamide
CID 92627441
2-cyclopropyl-N-[(2R)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]quinoline-4-carboxamide
CID 92626066
6-fluoro-2-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]quinoline-3-carboxamide
CID 46975769
2-(2-methylpyrazol-3-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]quinoline-4-carboxamide
CID 46977200
N-[2,2-dimethyl-1-(1-methylpyrazol-4-yl)propyl]-2,3-dihydro-1-benzofuran-7-carboxamide
CID 138026432
2-(1-methylpyrazol-3-yl)-N-[(2R)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]quinoline-4-carboxamide
CID 92626923
2-(1,3-dimethylpyrazol-4-yl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]quinoline-4-carboxamide
CID 92627008
7-phenyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46974575
6-methyl-2-morpholin-4-yl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyrimidine-4-carboxamide
CID 46974849
1-(6-cyclopropylpyridazin-3-yl)-3-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea
CID 97001695

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-2,3-dihydro-1-benzofuran-7-carboxamide?
The IUPAC name of N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-2,3-dihydro-1-benzofuran-7-carboxamide (CID 138026295) is N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-2,3-dihydro-1-benzofuran-7-carboxamide.
What is the SMILES notation for N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-2,3-dihydro-1-benzofuran-7-carboxamide?
The canonical SMILES for N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-2,3-dihydro-1-benzofuran-7-carboxamide is Cc1nn(C)c(C)c1CC(C)NC(=O)c1cccc2c1OCC2.
What is the InChIKey of N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-2,3-dihydro-1-benzofuran-7-carboxamide?
The InChIKey is MLBZYVIJDFDJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-11(10-16-12(2)20-21(4)13(16)3)19-18(22)15-7-5-6-14-8-9-23-17(14)15/h5-7,11H,8-10H2,1-4H3,(H,19,22).
What are the key properties of N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-2,3-dihydro-1-benzofuran-7-carboxamide?
N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-2,3-dihydro-1-benzofuran-7-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-2,3-dihydro-1-benzofuran-7-carboxamide is sourced from PubChem (CID 138026295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).