3-[[1-(1-phenylpyrazol-4-yl)ethylamino]methyl]oxolan-3-ol

C16H21N3O2 — CID 103904875

IUPAC3-[[1-(1-phenylpyrazol-4-yl)ethylamino]methyl]oxolan-3-ol
SMILESCC(NCC1(O)CCOC1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C16H21N3O2/c1-13(17-11-16(20)7-8-21-12-16)14-9-18-19(10-14)15-5-3-2-4-6-15/h2-6,9-10,13,17,20H,7-8,11-12H2,1H3
InChIKeyYRQSEJXAHHJJEU-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.67
Rot. Bonds5

About 3-[[1-(1-phenylpyrazol-4-yl)ethylamino]methyl]oxolan-3-ol

3-[[1-(1-phenylpyrazol-4-yl)ethylamino]methyl]oxolan-3-ol (PubChem CID 103904875) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-[[1-(1-phenylpyrazol-4-yl)ethylamino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[[1-(1-phenylpyrazol-4-yl)ethylamino]methyl]oxolan-3-ol
PubChem CID103904875
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name3-[[1-(1-phenylpyrazol-4-yl)ethylamino]methyl]oxolan-3-ol
SMILESCC(NCC1(O)CCOC1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C16H21N3O2/c1-13(17-11-16(20)7-8-21-12-16)14-9-18-19(10-14)15-5-3-2-4-6-15/h2-6,9-10,13,17,20H,7-8,11-12H2,1H3
InChIKeyYRQSEJXAHHJJEU-UHFFFAOYSA-N
XLogP1.67
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(1-phenylpyrazol-4-yl)ethylamino]ethanol
CID 81302041
N-(oxolan-3-ylmethyl)-1-(1-phenylpyrazol-4-yl)ethanamine
CID 81328589
3-[[1-(2-hydroxyphenyl)ethylamino]methyl]oxolan-3-ol
CID 113383834
(3S)-3-[[[(1R)-2-methyl-1-phenylpropyl]amino]methyl]oxolan-3-ol
CID 97116089
3-[[1-(4-chlorophenyl)ethylamino]methyl]oxolan-3-ol
CID 103904766
3-[[1-(3-methylphenyl)ethylamino]methyl]oxolan-3-ol
CID 103904871
methyl 3-[1-(1-phenylpyrazol-4-yl)ethylamino]propanoate
CID 81471467
(3S)-3-[[[(1R)-1-(3-fluorophenyl)ethyl]amino]methyl]oxolan-3-ol
CID 97108282
3-[(1-thiophen-3-ylethylamino)methyl]oxolan-3-ol
CID 115896443
2-[1-(1-phenylpyrazol-4-yl)ethylamino]acetamide
CID 81470640
N-[(5-methylfuran-2-yl)methyl]-1-(1-phenylpyrazol-4-yl)ethanamine
CID 81472971
3-[[1-(5-fluoro-3-pyridinyl)ethylamino]methyl]oxolan-3-ol
CID 103904763

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(1-phenylpyrazol-4-yl)ethylamino]methyl]oxolan-3-ol?
The IUPAC name of 3-[[1-(1-phenylpyrazol-4-yl)ethylamino]methyl]oxolan-3-ol (CID 103904875) is 3-[[1-(1-phenylpyrazol-4-yl)ethylamino]methyl]oxolan-3-ol.
What is the SMILES notation for 3-[[1-(1-phenylpyrazol-4-yl)ethylamino]methyl]oxolan-3-ol?
The canonical SMILES for 3-[[1-(1-phenylpyrazol-4-yl)ethylamino]methyl]oxolan-3-ol is CC(NCC1(O)CCOC1)c1cnn(-c2ccccc2)c1.
What is the InChIKey of 3-[[1-(1-phenylpyrazol-4-yl)ethylamino]methyl]oxolan-3-ol?
The InChIKey is YRQSEJXAHHJJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-13(17-11-16(20)7-8-21-12-16)14-9-18-19(10-14)15-5-3-2-4-6-15/h2-6,9-10,13,17,20H,7-8,11-12H2,1H3.
What are the key properties of 3-[[1-(1-phenylpyrazol-4-yl)ethylamino]methyl]oxolan-3-ol?
3-[[1-(1-phenylpyrazol-4-yl)ethylamino]methyl]oxolan-3-ol has a molecular weight of 287.36 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(1-phenylpyrazol-4-yl)ethylamino]methyl]oxolan-3-ol is sourced from PubChem (CID 103904875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).