(1S)-N-[(1-ethenylpyrazol-4-yl)methyl]-1-[(2R)-oxolan-2-yl]-1-phenylmethanamine

C17H21N3O — CID 124627180

IUPAC(1S)-N-[(1-ethenylpyrazol-4-yl)methyl]-1-[(2R)-oxolan-2-yl]-1-phenylmethanamine
SMILESC=Cn1cc(CN[C@@H](c2ccccc2)[C@H]2CCCO2)cn1
InChIInChI=1S/C17H21N3O/c1-2-20-13-14(12-19-20)11-18-17(16-9-6-10-21-16)15-7-4-3-5-8-15/h2-5,7-8,12-13,16-18H,1,6,9-11H2/t16-,17+/m1/s1
InChIKeyHAJROOKZDPAAQV-SJORKVTESA-N
MW283.38 g/mol
LogP2.99
Rot. Bonds6

About (1S)-N-[(1-ethenylpyrazol-4-yl)methyl]-1-[(2R)-oxolan-2-yl]-1-phenylmethanamine

(1S)-N-[(1-ethenylpyrazol-4-yl)methyl]-1-[(2R)-oxolan-2-yl]-1-phenylmethanamine (PubChem CID 124627180) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is (1S)-N-[(1-ethenylpyrazol-4-yl)methyl]-1-[(2R)-oxolan-2-yl]-1-phenylmethanamine.

Molecular Properties

Compound Name(1S)-N-[(1-ethenylpyrazol-4-yl)methyl]-1-[(2R)-oxolan-2-yl]-1-phenylmethanamine
PubChem CID124627180
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name(1S)-N-[(1-ethenylpyrazol-4-yl)methyl]-1-[(2R)-oxolan-2-yl]-1-phenylmethanamine
SMILESC=Cn1cc(CN[C@@H](c2ccccc2)[C@H]2CCCO2)cn1
InChIInChI=1S/C17H21N3O/c1-2-20-13-14(12-19-20)11-18-17(16-9-6-10-21-16)15-7-4-3-5-8-15/h2-5,7-8,12-13,16-18H,1,6,9-11H2/t16-,17+/m1/s1
InChIKeyHAJROOKZDPAAQV-SJORKVTESA-N
XLogP2.99
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S)-N-[(1-ethenylpyrazol-4-yl)methyl]-1-[(2R)-oxolan-2-yl]-1-phenylmethanamine 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

1-cyclopropyl-N-[(1-ethenylpyrazol-4-yl)methyl]-1-phenylmethanamine
CID 106936170
N-[(1-ethenylpyrazol-4-yl)methyl]-1-phenylmethanamine
CID 106935175
N-[(1-ethenylpyrazol-4-yl)methyl]-2-(oxan-2-yl)ethanamine
CID 107094848
1-cyclopropyl-N-[(1-ethenylpyrazol-4-yl)methyl]propan-2-amine
CID 106936896
(1S)-N-[(1-ethenylpyrazol-4-yl)methyl]-1-(3-methylphenyl)ethanamine
CID 106937098
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1-ethenylpyrazol-4-yl)methyl]ethanamine
CID 106936128
3-[(1-ethenylpyrazol-4-yl)methylamino]-3-thiophen-2-ylpropanoic acid
CID 106936202
2,2-dicyclopropyl-N-[(1-ethenylpyrazol-4-yl)methyl]ethanamine
CID 106936989
N-[(1-ethenylpyrazol-4-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 106936694
N-methyl-1-(oxan-2-yl)-1-phenylmethanamine
CID 62213165
N-[(1-ethenylpyrazol-4-yl)methyl]-1-methylsulfanylbutan-2-amine
CID 106937386
N-[(1-ethenylpyrazol-4-yl)methyl]hydroxylamine
CID 106937175

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(1-ethenylpyrazol-4-yl)methyl]-1-[(2R)-oxolan-2-yl]-1-phenylmethanamine?
The IUPAC name of (1S)-N-[(1-ethenylpyrazol-4-yl)methyl]-1-[(2R)-oxolan-2-yl]-1-phenylmethanamine (CID 124627180) is (1S)-N-[(1-ethenylpyrazol-4-yl)methyl]-1-[(2R)-oxolan-2-yl]-1-phenylmethanamine.
What is the SMILES notation for (1S)-N-[(1-ethenylpyrazol-4-yl)methyl]-1-[(2R)-oxolan-2-yl]-1-phenylmethanamine?
The canonical SMILES for (1S)-N-[(1-ethenylpyrazol-4-yl)methyl]-1-[(2R)-oxolan-2-yl]-1-phenylmethanamine is C=Cn1cc(CN[C@@H](c2ccccc2)[C@H]2CCCO2)cn1.
What is the InChIKey of (1S)-N-[(1-ethenylpyrazol-4-yl)methyl]-1-[(2R)-oxolan-2-yl]-1-phenylmethanamine?
The InChIKey is HAJROOKZDPAAQV-SJORKVTESA-N. The full InChI is InChI=1S/C17H21N3O/c1-2-20-13-14(12-19-20)11-18-17(16-9-6-10-21-16)15-7-4-3-5-8-15/h2-5,7-8,12-13,16-18H,1,6,9-11H2/t16-,17+/m1/s1.
What are the key properties of (1S)-N-[(1-ethenylpyrazol-4-yl)methyl]-1-[(2R)-oxolan-2-yl]-1-phenylmethanamine?
(1S)-N-[(1-ethenylpyrazol-4-yl)methyl]-1-[(2R)-oxolan-2-yl]-1-phenylmethanamine has a molecular weight of 283.38 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(1-ethenylpyrazol-4-yl)methyl]-1-[(2R)-oxolan-2-yl]-1-phenylmethanamine is sourced from PubChem (CID 124627180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).