N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-[(2R)-oxolan-2-yl]methanamine

C15H18FN3O — CID 40578642

IUPACN-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
SMILESFc1ccc(-c2[nH]ncc2CNC[C@H]2CCCO2)cc1
InChIInChI=1S/C15H18FN3O/c16-13-5-3-11(4-6-13)15-12(9-18-19-15)8-17-10-14-2-1-7-20-14/h3-6,9,14,17H,1-2,7-8,10H2,(H,18,19)/t14-/m1/s1
InChIKeyCXWSNJMOFMYFGI-CQSZACIVSA-N
MW275.33 g/mol
LogP2.48
Rot. Bonds5

About N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-[(2R)-oxolan-2-yl]methanamine

N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-[(2R)-oxolan-2-yl]methanamine (PubChem CID 40578642) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-[(2R)-oxolan-2-yl]methanamine.

Molecular Properties

Compound NameN-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
PubChem CID40578642
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC NameN-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
SMILESFc1ccc(-c2[nH]ncc2CNC[C@H]2CCCO2)cc1
InChIInChI=1S/C15H18FN3O/c16-13-5-3-11(4-6-13)15-12(9-18-19-15)8-17-10-14-2-1-7-20-14/h3-6,9,14,17H,1-2,7-8,10H2,(H,18,19)/t14-/m1/s1
InChIKeyCXWSNJMOFMYFGI-CQSZACIVSA-N
XLogP2.48
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 40592688
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2-[(2S)-oxolan-2-yl]ethanamine
CID 95592451
N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 129364628
N-[(2-bromo-4-fluorophenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 43199306
N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-(oxan-3-yl)methanamine;hydrochloride
CID 56816245
4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepane
CID 74246201
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]butan-1-amine
CID 4590247
1-(oxolan-2-yl)-N-(2H-triazol-4-ylmethyl)methanamine
CID 61318522
N-[(2-fluoro-5-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 62515858
N-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-4-yl]methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine
CID 95977930
N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 75690208
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-(oxan-2-yl)methanamine
CID 112731312

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-[(2R)-oxolan-2-yl]methanamine?
The IUPAC name of N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-[(2R)-oxolan-2-yl]methanamine (CID 40578642) is N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-[(2R)-oxolan-2-yl]methanamine.
What is the SMILES notation for N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-[(2R)-oxolan-2-yl]methanamine?
The canonical SMILES for N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-[(2R)-oxolan-2-yl]methanamine is Fc1ccc(-c2[nH]ncc2CNC[C@H]2CCCO2)cc1.
What is the InChIKey of N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-[(2R)-oxolan-2-yl]methanamine?
The InChIKey is CXWSNJMOFMYFGI-CQSZACIVSA-N. The full InChI is InChI=1S/C15H18FN3O/c16-13-5-3-11(4-6-13)15-12(9-18-19-15)8-17-10-14-2-1-7-20-14/h3-6,9,14,17H,1-2,7-8,10H2,(H,18,19)/t14-/m1/s1.
What are the key properties of N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-[(2R)-oxolan-2-yl]methanamine?
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-[(2R)-oxolan-2-yl]methanamine has a molecular weight of 275.33 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-[(2R)-oxolan-2-yl]methanamine is sourced from PubChem (CID 40578642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).