2,3-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]-2,3-dihydro-1-benzofuran-7-carboxamide

C16H19N3O2 — CID 103856582

IUPAC2,3-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]-2,3-dihydro-1-benzofuran-7-carboxamide
SMILESCC(NC(=O)c1cccc2c1OC(C)C2C)c1cn[nH]c1
InChIInChI=1S/C16H19N3O2/c1-9-11(3)21-15-13(9)5-4-6-14(15)16(20)19-10(2)12-7-17-18-8-12/h4-11H,1-3H3,(H,17,18)(H,19,20)
InChIKeyXEHDDHKGWKJWCC-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.79
Rot. Bonds3

About 2,3-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]-2,3-dihydro-1-benzofuran-7-carboxamide

2,3-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]-2,3-dihydro-1-benzofuran-7-carboxamide (PubChem CID 103856582) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2,3-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]-2,3-dihydro-1-benzofuran-7-carboxamide.

Molecular Properties

Compound Name2,3-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]-2,3-dihydro-1-benzofuran-7-carboxamide
PubChem CID103856582
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name2,3-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]-2,3-dihydro-1-benzofuran-7-carboxamide
SMILESCC(NC(=O)c1cccc2c1OC(C)C2C)c1cn[nH]c1
InChIInChI=1S/C16H19N3O2/c1-9-11(3)21-15-13(9)5-4-6-14(15)16(20)19-10(2)12-7-17-18-8-12/h4-11H,1-3H3,(H,17,18)(H,19,20)
InChIKeyXEHDDHKGWKJWCC-UHFFFAOYSA-N
XLogP2.79
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103857029
2,3-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103856738
(2S,3S)-N-[(1S)-1-cyclopropylethyl]-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide
CID 51672674
3-amino-2-chloro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 114158286
N-[1-(1H-pyrazol-4-yl)ethyl]-1H-indole-7-carboxamide
CID 103856743
methyl (3S)-3-[[(2S,3R)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carbonyl]amino]-3-(4-methylphenyl)propanoate
CID 51724240
methyl (2R,3S)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxylate
CID 95905951
3-methyl-2-nitro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103856189
2,6-dichloro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103856631
2-(propylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 106215424
2,3-dimethyl-N-(2-phenylpropyl)-2,3-dihydro-1-benzofuran-7-carboxamide
CID 18097983
N-[1-(1H-pyrazol-4-yl)ethyl]furan-2-carboxamide
CID 103855985

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]-2,3-dihydro-1-benzofuran-7-carboxamide?
The IUPAC name of 2,3-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]-2,3-dihydro-1-benzofuran-7-carboxamide (CID 103856582) is 2,3-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]-2,3-dihydro-1-benzofuran-7-carboxamide.
What is the SMILES notation for 2,3-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]-2,3-dihydro-1-benzofuran-7-carboxamide?
The canonical SMILES for 2,3-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]-2,3-dihydro-1-benzofuran-7-carboxamide is CC(NC(=O)c1cccc2c1OC(C)C2C)c1cn[nH]c1.
What is the InChIKey of 2,3-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]-2,3-dihydro-1-benzofuran-7-carboxamide?
The InChIKey is XEHDDHKGWKJWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-9-11(3)21-15-13(9)5-4-6-14(15)16(20)19-10(2)12-7-17-18-8-12/h4-11H,1-3H3,(H,17,18)(H,19,20).
What are the key properties of 2,3-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]-2,3-dihydro-1-benzofuran-7-carboxamide?
2,3-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]-2,3-dihydro-1-benzofuran-7-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]-2,3-dihydro-1-benzofuran-7-carboxamide is sourced from PubChem (CID 103856582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).