N-[1-(3-fluorophenyl)ethyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine

C16H20FN3O — CID 43745597

IUPACN-[1-(3-fluorophenyl)ethyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine
SMILESCC(Nc1cnn(CC2CCCO2)c1)c1cccc(F)c1
InChIInChI=1S/C16H20FN3O/c1-12(13-4-2-5-14(17)8-13)19-15-9-18-20(10-15)11-16-6-3-7-21-16/h2,4-5,8-10,12,16,19H,3,6-7,11H2,1H3
InChIKeyBFJMWGZXLDSSQV-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.37
Rot. Bonds5

About N-[1-(3-fluorophenyl)ethyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine

N-[1-(3-fluorophenyl)ethyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine (PubChem CID 43745597) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)ethyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)ethyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine
PubChem CID43745597
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC NameN-[1-(3-fluorophenyl)ethyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine
SMILESCC(Nc1cnn(CC2CCCO2)c1)c1cccc(F)c1
InChIInChI=1S/C16H20FN3O/c1-12(13-4-2-5-14(17)8-13)19-15-9-18-20(10-15)11-16-6-3-7-21-16/h2,4-5,8-10,12,16,19H,3,6-7,11H2,1H3
InChIKeyBFJMWGZXLDSSQV-UHFFFAOYSA-N
XLogP3.37
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-[4-[(R)-methylsulfinyl]phenyl]ethyl]-1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-amine
CID 129374098
2-[1-[[1-(oxolan-2-ylmethyl)pyrazol-4-yl]amino]ethyl]phenol
CID 43745581
1-ethyl-N-[1-(3-fluorophenyl)ethyl]pyrazol-4-amine
CID 43543392
1-(oxolan-2-ylmethyl)-N-(2-phenylpropyl)pyrazol-4-amine
CID 43745459
(1R)-1-(3-fluorophenyl)-N-[2-(oxolan-2-yl)ethyl]ethanamine
CID 81364895
(1S)-1-(3-fluorophenyl)-N-[2-(oxolan-2-yl)ethyl]ethanamine
CID 81365361
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine
CID 65197316
N-heptan-3-yl-1-(oxolan-2-ylmethyl)pyrazol-4-amine
CID 63946105
1-(2-methyl-1-phenylpropyl)-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
CID 87038237
N,1-bis(oxolan-2-ylmethyl)pyrazol-4-amine
CID 82835947
2-bromo-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propanamide
CID 107903884
N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]pyrimidin-2-amine
CID 171607061

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)ethyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine?
The IUPAC name of N-[1-(3-fluorophenyl)ethyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine (CID 43745597) is N-[1-(3-fluorophenyl)ethyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine.
What is the SMILES notation for N-[1-(3-fluorophenyl)ethyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine?
The canonical SMILES for N-[1-(3-fluorophenyl)ethyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine is CC(Nc1cnn(CC2CCCO2)c1)c1cccc(F)c1.
What is the InChIKey of N-[1-(3-fluorophenyl)ethyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine?
The InChIKey is BFJMWGZXLDSSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-12(13-4-2-5-14(17)8-13)19-15-9-18-20(10-15)11-16-6-3-7-21-16/h2,4-5,8-10,12,16,19H,3,6-7,11H2,1H3.
What are the key properties of N-[1-(3-fluorophenyl)ethyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine?
N-[1-(3-fluorophenyl)ethyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine has a molecular weight of 289.35 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)ethyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine is sourced from PubChem (CID 43745597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).