(1S)-1-(furan-2-yl)-2-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]azepan-2-yl]ethanol

C17H25N3O2 — CID 97224996

IUPAC(1S)-1-(furan-2-yl)-2-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]azepan-2-yl]ethanol
SMILESCn1cc(CN2CCCCC[C@@H]2C[C@H](O)c2ccco2)cn1
InChIInChI=1S/C17H25N3O2/c1-19-12-14(11-18-19)13-20-8-4-2-3-6-15(20)10-16(21)17-7-5-9-22-17/h5,7,9,11-12,15-16,21H,2-4,6,8,10,13H2,1H3/t15-,16+/m1/s1
InChIKeyZHAVAMIIMOTLAR-CVEARBPZSA-N
MW303.41 g/mol
LogP2.88
Rot. Bonds5

About (1S)-1-(furan-2-yl)-2-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]azepan-2-yl]ethanol

(1S)-1-(furan-2-yl)-2-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]azepan-2-yl]ethanol (PubChem CID 97224996) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is (1S)-1-(furan-2-yl)-2-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]azepan-2-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-(furan-2-yl)-2-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]azepan-2-yl]ethanol
PubChem CID97224996
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name(1S)-1-(furan-2-yl)-2-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]azepan-2-yl]ethanol
SMILESCn1cc(CN2CCCCC[C@@H]2C[C@H](O)c2ccco2)cn1
InChIInChI=1S/C17H25N3O2/c1-19-12-14(11-18-19)13-20-8-4-2-3-6-15(20)10-16(21)17-7-5-9-22-17/h5,7,9,11-12,15-16,21H,2-4,6,8,10,13H2,1H3/t15-,16+/m1/s1
InChIKeyZHAVAMIIMOTLAR-CVEARBPZSA-N
XLogP2.88
TPSA54.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1S)-1-(furan-2-yl)-2-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]azepan-2-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-1-(furan-2-yl)-2-[(2S)-1-(1,2-oxazol-3-ylmethyl)azepan-2-yl]ethanol
CID 97078677
(1S)-2-[(2S)-1-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]azepan-2-yl]-1-(furan-2-yl)ethanol
CID 124872222
[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]methanol
CID 60685295
(1R)-1-(furan-2-yl)-2-[(2R)-1-[2-(1,2,4-triazol-1-yl)ethyl]azepan-2-yl]ethanol
CID 97078670
(1R)-2-[(2S)-1-[(1-cyclopropyltetrazol-5-yl)methyl]azepan-2-yl]-1-(furan-2-yl)ethanol
CID 97078680
1-[1-[(1-ethylpyrazol-4-yl)methyl]azepan-2-yl]propan-2-ol
CID 114338918
(1S)-1-(furan-2-yl)-2-[(2S)-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]ethanol
CID 97075660
(2S)-1-[(1-methylpyrazol-4-yl)methyl]-2-(2-phenylethyl)piperidine
CID 95876965
1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]propan-2-one
CID 79539306
(1R)-2-[(2S)-1-[(3-chloro-4-pyridinyl)methyl]pyrrolidin-2-yl]-1-(furan-2-yl)ethanol
CID 97078704
2-[2-[2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide
CID 167964277
2-[2-[2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 71852465

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(furan-2-yl)-2-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]azepan-2-yl]ethanol?
The IUPAC name of (1S)-1-(furan-2-yl)-2-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]azepan-2-yl]ethanol (CID 97224996) is (1S)-1-(furan-2-yl)-2-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]azepan-2-yl]ethanol.
What is the SMILES notation for (1S)-1-(furan-2-yl)-2-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]azepan-2-yl]ethanol?
The canonical SMILES for (1S)-1-(furan-2-yl)-2-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]azepan-2-yl]ethanol is Cn1cc(CN2CCCCC[C@@H]2C[C@H](O)c2ccco2)cn1.
What is the InChIKey of (1S)-1-(furan-2-yl)-2-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]azepan-2-yl]ethanol?
The InChIKey is ZHAVAMIIMOTLAR-CVEARBPZSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-19-12-14(11-18-19)13-20-8-4-2-3-6-15(20)10-16(21)17-7-5-9-22-17/h5,7,9,11-12,15-16,21H,2-4,6,8,10,13H2,1H3/t15-,16+/m1/s1.
What are the key properties of (1S)-1-(furan-2-yl)-2-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]azepan-2-yl]ethanol?
(1S)-1-(furan-2-yl)-2-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]azepan-2-yl]ethanol has a molecular weight of 303.41 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(furan-2-yl)-2-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]azepan-2-yl]ethanol is sourced from PubChem (CID 97224996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).