(4-ethoxyphenyl)-[3-(furan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone

C19H19N3O3 — CID 31125869

IUPAC(4-ethoxyphenyl)-[3-(furan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
SMILESCCOc1ccc(C(=O)N2CCc3[nH]nc(-c4ccco4)c3C2)cc1
InChIInChI=1S/C19H19N3O3/c1-2-24-14-7-5-13(6-8-14)19(23)22-10-9-16-15(12-22)18(21-20-16)17-4-3-11-25-17/h3-8,11H,2,9-10,12H2,1H3,(H,20,21)
InChIKeyROSJEJXAECRHCK-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.27
Rot. Bonds4

About (4-ethoxyphenyl)-[3-(furan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone

(4-ethoxyphenyl)-[3-(furan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone (PubChem CID 31125869) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is (4-ethoxyphenyl)-[3-(furan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(4-ethoxyphenyl)-[3-(furan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
PubChem CID31125869
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name(4-ethoxyphenyl)-[3-(furan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
SMILESCCOc1ccc(C(=O)N2CCc3[nH]nc(-c4ccco4)c3C2)cc1
InChIInChI=1S/C19H19N3O3/c1-2-24-14-7-5-13(6-8-14)19(23)22-10-9-16-15(12-22)18(21-20-16)17-4-3-11-25-17/h3-8,11H,2,9-10,12H2,1H3,(H,20,21)
InChIKeyROSJEJXAECRHCK-UHFFFAOYSA-N
XLogP3.27
TPSA71.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-ethoxyphenyl)-[3-(furan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone with MolForge

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Related Compounds

4-(2-Furanyl)-3-methyl-5-(4-methylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 662731
4-[3-(2-furyl)-1H-pyrazol-5-yl]piperidine
CID 2764503
3-(4-ethoxyphenyl)-N-[(1-methyl-4-piperidinylidene)amino]-1H-pyrazole-5-carboxamide
CID 4593003
(4-methoxyphenyl)(3-phenyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)methanone
CID 8031310
5-(furan-2-yl)-N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)-1H-pyrazole-3-carboxamide
CID 11504199
ethyl 4-(4-(4-ethoxyphenyl)-3-(2-furyl)-6-oxo-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1H)-yl)benzoate
CID 16020169
1-{[3-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl}-3-(methoxymethyl)piperidine
CID 16188202
(4-fluorophenyl)[3-(4-methoxyphenyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]methanone
CID 17582182
methyl 1-[[4-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperidine-4-carboxylate
CID 30868477
[5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]furan-2-yl]-[3-[2-(4-fluorophenoxy)ethyl]pyrrolidin-1-yl]methanone
CID 124042451
5-(furan-2-yl)-N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-1H-pyrazole-3-carboxamide
CID 6862097
1-[3-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]-N-methyl-N-(tetrahydro-2H-pyran-4-ylmethyl)methanamine
CID 16188959

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl)-[3-(furan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone?
The IUPAC name of (4-ethoxyphenyl)-[3-(furan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone (CID 31125869) is (4-ethoxyphenyl)-[3-(furan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone.
What is the SMILES notation for (4-ethoxyphenyl)-[3-(furan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone?
The canonical SMILES for (4-ethoxyphenyl)-[3-(furan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone is CCOc1ccc(C(=O)N2CCc3[nH]nc(-c4ccco4)c3C2)cc1.
What is the InChIKey of (4-ethoxyphenyl)-[3-(furan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone?
The InChIKey is ROSJEJXAECRHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-2-24-14-7-5-13(6-8-14)19(23)22-10-9-16-15(12-22)18(21-20-16)17-4-3-11-25-17/h3-8,11H,2,9-10,12H2,1H3,(H,20,21).
What are the key properties of (4-ethoxyphenyl)-[3-(furan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone?
(4-ethoxyphenyl)-[3-(furan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone has a molecular weight of 337.38 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl)-[3-(furan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone is sourced from PubChem (CID 31125869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).