(3S)-N-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-2,3-dihydro-1-benzofuran-3-carboxamide

C17H19N3O2 — CID 96538964

IUPAC(3S)-N-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-2,3-dihydro-1-benzofuran-3-carboxamide
SMILESC[C@@H](C1CC1)n1nccc1NC(=O)[C@@H]1COc2ccccc21
InChIInChI=1S/C17H19N3O2/c1-11(12-6-7-12)20-16(8-9-18-20)19-17(21)14-10-22-15-5-3-2-4-13(14)15/h2-5,8-9,11-12,14H,6-7,10H2,1H3,(H,19,21)/t11-,14+/m0/s1
InChIKeyQKMABLPZFOXOPO-SMDDNHRTSA-N
MW297.36 g/mol
LogP2.97
Rot. Bonds4

About (3S)-N-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-2,3-dihydro-1-benzofuran-3-carboxamide

(3S)-N-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-2,3-dihydro-1-benzofuran-3-carboxamide (PubChem CID 96538964) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is (3S)-N-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-2,3-dihydro-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-2,3-dihydro-1-benzofuran-3-carboxamide
PubChem CID96538964
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name(3S)-N-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-2,3-dihydro-1-benzofuran-3-carboxamide
SMILESC[C@@H](C1CC1)n1nccc1NC(=O)[C@@H]1COc2ccccc21
InChIInChI=1S/C17H19N3O2/c1-11(12-6-7-12)20-16(8-9-18-20)19-17(21)14-10-22-15-5-3-2-4-13(14)15/h2-5,8-9,11-12,14H,6-7,10H2,1H3,(H,19,21)/t11-,14+/m0/s1
InChIKeyQKMABLPZFOXOPO-SMDDNHRTSA-N
XLogP2.97
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-N-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-2,3-dihydro-1-benzofuran-3-carboxamide with MolForge

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Related Compounds

1-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-3-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 124830183
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]piperidine-4-carboxamide;hydrochloride
CID 119269137
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-phenoxyacetamide
CID 60594497
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-(4-phenylphenyl)acetamide
CID 112761634
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 112761644
N'-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-N-(2-methylpropyl)oxamide
CID 97310300
N-(6-bromo-3-pyridinyl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 113262838
3-[[2-[[2-(1-cyclopropylethyl)pyrazol-3-yl]amino]-2-oxoethyl]-methylamino]propanoic acid
CID 119911922
N-(4-acetamidophenyl)-2-[[2-[[2-(1-cyclopropylethyl)pyrazol-3-yl]amino]-2-oxoethyl]-ethylamino]acetamide
CID 55830518
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
CID 112761446
(2R)-N-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 9112532
N-(4-methyl-1H-pyrazol-5-yl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 112691407

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-2,3-dihydro-1-benzofuran-3-carboxamide?
The IUPAC name of (3S)-N-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-2,3-dihydro-1-benzofuran-3-carboxamide (CID 96538964) is (3S)-N-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-2,3-dihydro-1-benzofuran-3-carboxamide.
What is the SMILES notation for (3S)-N-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-2,3-dihydro-1-benzofuran-3-carboxamide?
The canonical SMILES for (3S)-N-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-2,3-dihydro-1-benzofuran-3-carboxamide is C[C@@H](C1CC1)n1nccc1NC(=O)[C@@H]1COc2ccccc21.
What is the InChIKey of (3S)-N-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-2,3-dihydro-1-benzofuran-3-carboxamide?
The InChIKey is QKMABLPZFOXOPO-SMDDNHRTSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-11(12-6-7-12)20-16(8-9-18-20)19-17(21)14-10-22-15-5-3-2-4-13(14)15/h2-5,8-9,11-12,14H,6-7,10H2,1H3,(H,19,21)/t11-,14+/m0/s1.
What are the key properties of (3S)-N-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-2,3-dihydro-1-benzofuran-3-carboxamide?
(3S)-N-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-2,3-dihydro-1-benzofuran-3-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-2,3-dihydro-1-benzofuran-3-carboxamide is sourced from PubChem (CID 96538964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).