N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-1-methyl-3-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide

C17H19N3O3 — CID 129473435

IUPACN-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-1-methyl-3-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide
SMILESCn1cc(C(=O)N[C@@H]2COc3ccccc32)c([C@@H]2CCOC2)n1
InChIInChI=1S/C17H19N3O3/c1-20-8-13(16(19-20)11-6-7-22-9-11)17(21)18-14-10-23-15-5-3-2-4-12(14)15/h2-5,8,11,14H,6-7,9-10H2,1H3,(H,18,21)/t11-,14-/m1/s1
InChIKeyHQGLXVYWSCORQG-BXUZGUMPSA-N
MW313.36 g/mol
LogP1.79
Rot. Bonds3

About N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-1-methyl-3-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide

N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-1-methyl-3-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide (PubChem CID 129473435) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-1-methyl-3-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-1-methyl-3-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide
PubChem CID129473435
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC NameN-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-1-methyl-3-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide
SMILESCn1cc(C(=O)N[C@@H]2COc3ccccc32)c([C@@H]2CCOC2)n1
InChIInChI=1S/C17H19N3O3/c1-20-8-13(16(19-20)11-6-7-22-9-11)17(21)18-14-10-23-15-5-3-2-4-12(14)15/h2-5,8,11,14H,6-7,9-10H2,1H3,(H,18,21)/t11-,14-/m1/s1
InChIKeyHQGLXVYWSCORQG-BXUZGUMPSA-N
XLogP1.79
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-1-methyl-3-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide
CID 129473437
1-methyl-3-[(3R)-oxolan-3-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazole-4-carboxamide
CID 129472548
N-(2,3-dihydro-1-benzofuran-3-yl)-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide
CID 129000622
1-methyl-3-(oxolan-3-yl)-N-(1-propylpiperidin-4-yl)pyrazole-4-carboxamide
CID 128995752
N-cyclobutylsulfonyl-1-methyl-3-(oxolan-3-yl)pyrazole-4-carboxamide
CID 136538400
1-methyl-3-(oxolan-3-yl)-N-(1-thiophen-2-ylpropan-2-yl)pyrazole-4-carboxamide
CID 128965565
N-[(2-fluorophenyl)methyl]-N,1-dimethyl-3-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide
CID 129472427
N-[1-(3,5-dimethylphenyl)ethyl]-1-methyl-3-(oxolan-3-yl)pyrazole-4-carboxamide
CID 128992476
2-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)benzamide
CID 62070746
1-cyclopropyl-N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-2,5-dimethylpyrrole-3-carboxamide
CID 97003353
1-cyclopropyl-N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-2,5-dimethylpyrrole-3-carboxamide
CID 94840101
N-(2,3-dihydro-1-benzofuran-3-yl)-2,5-dihydroxybenzamide
CID 103892306

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-1-methyl-3-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide?
The IUPAC name of N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-1-methyl-3-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide (CID 129473435) is N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-1-methyl-3-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide.
What is the SMILES notation for N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-1-methyl-3-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide?
The canonical SMILES for N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-1-methyl-3-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide is Cn1cc(C(=O)N[C@@H]2COc3ccccc32)c([C@@H]2CCOC2)n1.
What is the InChIKey of N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-1-methyl-3-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide?
The InChIKey is HQGLXVYWSCORQG-BXUZGUMPSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-20-8-13(16(19-20)11-6-7-22-9-11)17(21)18-14-10-23-15-5-3-2-4-12(14)15/h2-5,8,11,14H,6-7,9-10H2,1H3,(H,18,21)/t11-,14-/m1/s1.
What are the key properties of N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-1-methyl-3-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide?
N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-1-methyl-3-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-1-methyl-3-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 129473435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).