N-[(1R)-1-[(3S)-oxolan-3-yl]ethyl]-3-(1H-pyrazol-5-yl)aniline

C15H19N3O — CID 124600539

IUPACN-[(1R)-1-[(3S)-oxolan-3-yl]ethyl]-3-(1H-pyrazol-5-yl)aniline
SMILESC[C@@H](Nc1cccc(-c2ccn[nH]2)c1)[C@@H]1CCOC1
InChIInChI=1S/C15H19N3O/c1-11(13-6-8-19-10-13)17-14-4-2-3-12(9-14)15-5-7-16-18-15/h2-5,7,9,11,13,17H,6,8,10H2,1H3,(H,16,18)/t11-,13-/m1/s1
InChIKeyAWEXFNNENMHYCI-DGCLKSJQSA-N
MW257.34 g/mol
LogP2.91
Rot. Bonds4

About N-[(1R)-1-[(3S)-oxolan-3-yl]ethyl]-3-(1H-pyrazol-5-yl)aniline

N-[(1R)-1-[(3S)-oxolan-3-yl]ethyl]-3-(1H-pyrazol-5-yl)aniline (PubChem CID 124600539) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-[(1R)-1-[(3S)-oxolan-3-yl]ethyl]-3-(1H-pyrazol-5-yl)aniline.

Molecular Properties

Compound NameN-[(1R)-1-[(3S)-oxolan-3-yl]ethyl]-3-(1H-pyrazol-5-yl)aniline
PubChem CID124600539
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-[(1R)-1-[(3S)-oxolan-3-yl]ethyl]-3-(1H-pyrazol-5-yl)aniline
SMILESC[C@@H](Nc1cccc(-c2ccn[nH]2)c1)[C@@H]1CCOC1
InChIInChI=1S/C15H19N3O/c1-11(13-6-8-19-10-13)17-14-4-2-3-12(9-14)15-5-7-16-18-15/h2-5,7,9,11,13,17H,6,8,10H2,1H3,(H,16,18)/t11-,13-/m1/s1
InChIKeyAWEXFNNENMHYCI-DGCLKSJQSA-N
XLogP2.91
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,3-oxazol-5-yl)-N-[1-(oxolan-3-yl)ethyl]aniline
CID 115929008
2-amino-2-(oxan-4-yl)-N-[3-(1H-pyrazol-5-yl)phenyl]acetamide;hydrochloride
CID 120785975
N-[3-[1-(oxolan-3-yl)ethylamino]phenyl]propanamide
CID 115917600
N-[1-(oxolan-3-yl)ethyl]-3-(pyrrolidin-1-ylmethyl)aniline
CID 115918177
N-heptan-2-yl-3-(1H-pyrazol-5-yl)aniline
CID 43745296
N-[1-(2-methylphenyl)ethyl]-3-(1H-pyrazol-5-yl)aniline
CID 43745402
N-(2-methylpropyl)-3-(1H-pyrazol-5-yl)aniline
CID 43745359
3-iodo-N-[1-(oxan-4-yl)ethyl]aniline
CID 115928305
N-heptan-3-yl-3-(1H-pyrazol-5-yl)aniline
CID 63945913
N-nonan-2-yl-3-(1H-pyrazol-5-yl)aniline
CID 43745382
1-[3-[1-(oxolan-3-yl)ethylamino]phenyl]pyrrolidin-2-one
CID 115917292
N-[3-(1H-pyrazol-5-yl)phenyl]cycloheptanamine
CID 43745342

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[(3S)-oxolan-3-yl]ethyl]-3-(1H-pyrazol-5-yl)aniline?
The IUPAC name of N-[(1R)-1-[(3S)-oxolan-3-yl]ethyl]-3-(1H-pyrazol-5-yl)aniline (CID 124600539) is N-[(1R)-1-[(3S)-oxolan-3-yl]ethyl]-3-(1H-pyrazol-5-yl)aniline.
What is the SMILES notation for N-[(1R)-1-[(3S)-oxolan-3-yl]ethyl]-3-(1H-pyrazol-5-yl)aniline?
The canonical SMILES for N-[(1R)-1-[(3S)-oxolan-3-yl]ethyl]-3-(1H-pyrazol-5-yl)aniline is C[C@@H](Nc1cccc(-c2ccn[nH]2)c1)[C@@H]1CCOC1.
What is the InChIKey of N-[(1R)-1-[(3S)-oxolan-3-yl]ethyl]-3-(1H-pyrazol-5-yl)aniline?
The InChIKey is AWEXFNNENMHYCI-DGCLKSJQSA-N. The full InChI is InChI=1S/C15H19N3O/c1-11(13-6-8-19-10-13)17-14-4-2-3-12(9-14)15-5-7-16-18-15/h2-5,7,9,11,13,17H,6,8,10H2,1H3,(H,16,18)/t11-,13-/m1/s1.
What are the key properties of N-[(1R)-1-[(3S)-oxolan-3-yl]ethyl]-3-(1H-pyrazol-5-yl)aniline?
N-[(1R)-1-[(3S)-oxolan-3-yl]ethyl]-3-(1H-pyrazol-5-yl)aniline has a molecular weight of 257.34 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[(3S)-oxolan-3-yl]ethyl]-3-(1H-pyrazol-5-yl)aniline is sourced from PubChem (CID 124600539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).