N-[(2-ethylpyrazol-3-yl)methyl]-1-[(2S,3R)-2-phenyloxolan-3-yl]methanamine

C17H23N3O — CID 129005258

IUPACN-[(2-ethylpyrazol-3-yl)methyl]-1-[(2S,3R)-2-phenyloxolan-3-yl]methanamine
SMILESCCn1nccc1CNC[C@H]1CCO[C@@H]1c1ccccc1
InChIInChI=1S/C17H23N3O/c1-2-20-16(8-10-19-20)13-18-12-15-9-11-21-17(15)14-6-4-3-5-7-14/h3-8,10,15,17-18H,2,9,11-13H2,1H3/t15-,17-/m1/s1
InChIKeyZRJQGESXNOCTGY-NVXWUHKLSA-N
MW285.39 g/mol
LogP2.77
Rot. Bonds6

About N-[(2-ethylpyrazol-3-yl)methyl]-1-[(2S,3R)-2-phenyloxolan-3-yl]methanamine

N-[(2-ethylpyrazol-3-yl)methyl]-1-[(2S,3R)-2-phenyloxolan-3-yl]methanamine (PubChem CID 129005258) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[(2-ethylpyrazol-3-yl)methyl]-1-[(2S,3R)-2-phenyloxolan-3-yl]methanamine.

Molecular Properties

Compound NameN-[(2-ethylpyrazol-3-yl)methyl]-1-[(2S,3R)-2-phenyloxolan-3-yl]methanamine
PubChem CID129005258
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-[(2-ethylpyrazol-3-yl)methyl]-1-[(2S,3R)-2-phenyloxolan-3-yl]methanamine
SMILESCCn1nccc1CNC[C@H]1CCO[C@@H]1c1ccccc1
InChIInChI=1S/C17H23N3O/c1-2-20-16(8-10-19-20)13-18-12-15-9-11-21-17(15)14-6-4-3-5-7-14/h3-8,10,15,17-18H,2,9,11-13H2,1H3/t15-,17-/m1/s1
InChIKeyZRJQGESXNOCTGY-NVXWUHKLSA-N
XLogP2.77
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-1-[(2S,3R)-2-phenyloxolan-3-yl]methanamine?
The IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-1-[(2S,3R)-2-phenyloxolan-3-yl]methanamine (CID 129005258) is N-[(2-ethylpyrazol-3-yl)methyl]-1-[(2S,3R)-2-phenyloxolan-3-yl]methanamine.
What is the SMILES notation for N-[(2-ethylpyrazol-3-yl)methyl]-1-[(2S,3R)-2-phenyloxolan-3-yl]methanamine?
The canonical SMILES for N-[(2-ethylpyrazol-3-yl)methyl]-1-[(2S,3R)-2-phenyloxolan-3-yl]methanamine is CCn1nccc1CNC[C@H]1CCO[C@@H]1c1ccccc1.
What is the InChIKey of N-[(2-ethylpyrazol-3-yl)methyl]-1-[(2S,3R)-2-phenyloxolan-3-yl]methanamine?
The InChIKey is ZRJQGESXNOCTGY-NVXWUHKLSA-N. The full InChI is InChI=1S/C17H23N3O/c1-2-20-16(8-10-19-20)13-18-12-15-9-11-21-17(15)14-6-4-3-5-7-14/h3-8,10,15,17-18H,2,9,11-13H2,1H3/t15-,17-/m1/s1.
What are the key properties of N-[(2-ethylpyrazol-3-yl)methyl]-1-[(2S,3R)-2-phenyloxolan-3-yl]methanamine?
N-[(2-ethylpyrazol-3-yl)methyl]-1-[(2S,3R)-2-phenyloxolan-3-yl]methanamine has a molecular weight of 285.39 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylpyrazol-3-yl)methyl]-1-[(2S,3R)-2-phenyloxolan-3-yl]methanamine is sourced from PubChem (CID 129005258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).