[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-pyrazol-5-yl]-morpholin-4-ylmethanone

C16H17N3O3 — CID 71828704

IUPAC[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-pyrazol-5-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cc(-c2ccc3c(c2)CCO3)n[nH]1)N1CCOCC1
InChIInChI=1S/C16H17N3O3/c20-16(19-4-7-21-8-5-19)14-10-13(17-18-14)11-1-2-15-12(9-11)3-6-22-15/h1-2,9-10H,3-8H2,(H,17,18)
InChIKeyHMRDHTBAMONLLX-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.48
Rot. Bonds2

About [3-(2,3-dihydro-1-benzofuran-5-yl)-1H-pyrazol-5-yl]-morpholin-4-ylmethanone

[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-pyrazol-5-yl]-morpholin-4-ylmethanone (PubChem CID 71828704) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is [3-(2,3-dihydro-1-benzofuran-5-yl)-1H-pyrazol-5-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-pyrazol-5-yl]-morpholin-4-ylmethanone
PubChem CID71828704
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-pyrazol-5-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cc(-c2ccc3c(c2)CCO3)n[nH]1)N1CCOCC1
InChIInChI=1S/C16H17N3O3/c20-16(19-4-7-21-8-5-19)14-10-13(17-18-14)11-1-2-15-12(9-11)3-6-22-15/h1-2,9-10H,3-8H2,(H,17,18)
InChIKeyHMRDHTBAMONLLX-UHFFFAOYSA-N
XLogP1.48
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(4-bromophenyl)-1H-pyrazol-5-yl]-morpholin-4-ylmethanone
CID 38549380
3-(2,3-dihydro-1-benzofuran-5-yl)-N-(1-methylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 71829439
3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1H-pyrazole-5-carboxamide
CID 110205762
[1-[3-(4-bromophenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 39557320
3-(2,3-dihydro-1-benzofuran-5-yl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1H-pyrazole-5-carboxamide
CID 97426636
[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]methanone
CID 90506540
2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-4-carbaldehyde;[3-(methylamino)-1H-1,2,4-triazol-5-yl]-morpholin-4-ylmethanone
CID 145234814
2,3-dihydro-1-benzofuran-5-yl(pyrrolidin-1-yl)methanone
CID 60739558
methyl 2-[[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-pyrazole-5-carbonyl]amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate
CID 71828282
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone
CID 20864943
3-(1,3-dihydro-2-benzofuran-5-yl)-1H-pyrazole-5-carboxylic acid
CID 82390931
3-(4-fluorophenyl)-N-[3-(morpholine-4-carbonyl)phenyl]-1H-pyrazole-5-carboxamide
CID 86996526

Frequently Asked Questions

What is the IUPAC name of [3-(2,3-dihydro-1-benzofuran-5-yl)-1H-pyrazol-5-yl]-morpholin-4-ylmethanone?
The IUPAC name of [3-(2,3-dihydro-1-benzofuran-5-yl)-1H-pyrazol-5-yl]-morpholin-4-ylmethanone (CID 71828704) is [3-(2,3-dihydro-1-benzofuran-5-yl)-1H-pyrazol-5-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-(2,3-dihydro-1-benzofuran-5-yl)-1H-pyrazol-5-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-(2,3-dihydro-1-benzofuran-5-yl)-1H-pyrazol-5-yl]-morpholin-4-ylmethanone is O=C(c1cc(-c2ccc3c(c2)CCO3)n[nH]1)N1CCOCC1.
What is the InChIKey of [3-(2,3-dihydro-1-benzofuran-5-yl)-1H-pyrazol-5-yl]-morpholin-4-ylmethanone?
The InChIKey is HMRDHTBAMONLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c20-16(19-4-7-21-8-5-19)14-10-13(17-18-14)11-1-2-15-12(9-11)3-6-22-15/h1-2,9-10H,3-8H2,(H,17,18).
What are the key properties of [3-(2,3-dihydro-1-benzofuran-5-yl)-1H-pyrazol-5-yl]-morpholin-4-ylmethanone?
[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-pyrazol-5-yl]-morpholin-4-ylmethanone has a molecular weight of 299.33 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,3-dihydro-1-benzofuran-5-yl)-1H-pyrazol-5-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 71828704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).