(2,5-dimethylfuran-3-yl)-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone

C17H23N3O2 — CID 70735289

IUPAC(2,5-dimethylfuran-3-yl)-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCC(CCn3cccn3)CC2)c(C)o1
InChIInChI=1S/C17H23N3O2/c1-13-12-16(14(2)22-13)17(21)19-9-4-15(5-10-19)6-11-20-8-3-7-18-20/h3,7-8,12,15H,4-6,9-11H2,1-2H3
InChIKeyPRIGLJFDFGRHQC-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.04
Rot. Bonds4

About (2,5-dimethylfuran-3-yl)-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone

(2,5-dimethylfuran-3-yl)-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone (PubChem CID 70735289) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is (2,5-dimethylfuran-3-yl)-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-dimethylfuran-3-yl)-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
PubChem CID70735289
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name(2,5-dimethylfuran-3-yl)-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCC(CCn3cccn3)CC2)c(C)o1
InChIInChI=1S/C17H23N3O2/c1-13-12-16(14(2)22-13)17(21)19-9-4-15(5-10-19)6-11-20-8-3-7-18-20/h3,7-8,12,15H,4-6,9-11H2,1-2H3
InChIKeyPRIGLJFDFGRHQC-UHFFFAOYSA-N
XLogP3.04
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2,5-dimethylfuran-3-yl)-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

2-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]furan-3-carboxamide
CID 1244259
1-{3-[5-(2,5-Dimethyl-3-furyl)-1,3,4-oxadiazol-2-yl]propanoyl}-4-(pyridin-3-ylmethyl)piperazine
CID 16188761
N-[(Z)-(3,5-dimethyl-1-pentylpyrazol-4-yl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 5976730
(2,5-Dimethylfuran-3-yl)-[4-(2-hydroxy-3-pyrazol-1-ylpropyl)piperazin-1-yl]methanone
CID 47054186
N~3~-Ethyl-N~3~-[(1-ethyl-1H-pyrazol-4-YL)methyl]-5-(4-fluorobenzyl)-2-methyl-4,5,6,7-tetrahydrofuro[3,2-C]pyridine-3-carboxamide
CID 53194112
[3-(4-Methylpyrazol-1-yl)piperidin-1-yl]-(2,4,5-trimethylfuran-3-yl)methanone
CID 53563682
2-methyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]furan-3-carboxamide
CID 53579175
[4-[(1-Ethylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-(2-methylfuran-3-yl)methanone
CID 53585791
[4-[(1-Ethylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-(2,4,5-trimethylfuran-3-yl)methanone
CID 53597812
(2-Methylfuran-3-yl)-[4-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 53606456
N-({1-[(4,5-dimethyl-2-furyl)methyl]piperidin-3-yl}methyl)-2-(1H-pyrazol-1-yl)acetamide
CID 56709432
[4-[(4-Chloropyrazol-1-yl)methyl]piperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 56820359

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylfuran-3-yl)-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone?
The IUPAC name of (2,5-dimethylfuran-3-yl)-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone (CID 70735289) is (2,5-dimethylfuran-3-yl)-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2,5-dimethylfuran-3-yl)-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2,5-dimethylfuran-3-yl)-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone is Cc1cc(C(=O)N2CCC(CCn3cccn3)CC2)c(C)o1.
What is the InChIKey of (2,5-dimethylfuran-3-yl)-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone?
The InChIKey is PRIGLJFDFGRHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-13-12-16(14(2)22-13)17(21)19-9-4-15(5-10-19)6-11-20-8-3-7-18-20/h3,7-8,12,15H,4-6,9-11H2,1-2H3.
What are the key properties of (2,5-dimethylfuran-3-yl)-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone?
(2,5-dimethylfuran-3-yl)-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone has a molecular weight of 301.39 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylfuran-3-yl)-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 70735289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).