3-(5-fluoro-2-pyrazol-1-ylphenyl)-N,N-dimethylpropan-1-amine

C14H18FN3 — CID 170865603

IUPAC3-(5-fluoro-2-pyrazol-1-ylphenyl)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCc1cc(F)ccc1-n1cccn1
InChIInChI=1S/C14H18FN3/c1-17(2)9-3-5-12-11-13(15)6-7-14(12)18-10-4-8-16-18/h4,6-8,10-11H,3,5,9H2,1-2H3
InChIKeyHVNTXGOOWMFOBH-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.51
Rot. Bonds5

About 3-(5-fluoro-2-pyrazol-1-ylphenyl)-N,N-dimethylpropan-1-amine

3-(5-fluoro-2-pyrazol-1-ylphenyl)-N,N-dimethylpropan-1-amine (PubChem CID 170865603) has the molecular formula C14H18FN3 and a molecular weight of 247.32 g/mol. Its IUPAC name is 3-(5-fluoro-2-pyrazol-1-ylphenyl)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(5-fluoro-2-pyrazol-1-ylphenyl)-N,N-dimethylpropan-1-amine
PubChem CID170865603
Molecular FormulaC14H18FN3
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC Name3-(5-fluoro-2-pyrazol-1-ylphenyl)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCc1cc(F)ccc1-n1cccn1
InChIInChI=1S/C14H18FN3/c1-17(2)9-3-5-12-11-13(15)6-7-14(12)18-10-4-8-16-18/h4,6-8,10-11H,3,5,9H2,1-2H3
InChIKeyHVNTXGOOWMFOBH-UHFFFAOYSA-N
XLogP2.51
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]ethanamine
CID 43314015
1-(5-fluoro-2-pyrazol-1-ylphenyl)-N-methylmethanamine
CID 43314016
N,N-dimethyl-3-(3-methyl-2-pyrazol-1-ylphenyl)propan-1-amine
CID 170866716
2-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl-(2-methylpropyl)amino]acetic acid
CID 91832688
N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-3-methylpentan-1-amine
CID 131922365
4-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-2,6-dimethylmorpholine
CID 156608964
2-[3-(dimethylamino)propyl]-5-fluorophenol
CID 170865708
1-(2-chloro-4-fluorophenyl)pyrazole
CID 91212691
1-[2-[2-(dimethylamino)ethyl]-4-fluorophenyl]-4-ethoxypyrazole-3-carboxylic acid
CID 66611798
N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-1-(5-fluoro-2-pyrazol-1-ylphenyl)-N-methylmethanamine
CID 77097445
3-(1-ethyl-5-fluoroindol-3-yl)-N,N-dimethylpropan-1-amine
CID 170867012
(3S,4S)-1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-3-hydroxypiperidine-4-carboxylic acid
CID 135113021

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-pyrazol-1-ylphenyl)-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-(5-fluoro-2-pyrazol-1-ylphenyl)-N,N-dimethylpropan-1-amine (CID 170865603) is 3-(5-fluoro-2-pyrazol-1-ylphenyl)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-(5-fluoro-2-pyrazol-1-ylphenyl)-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-(5-fluoro-2-pyrazol-1-ylphenyl)-N,N-dimethylpropan-1-amine is CN(C)CCCc1cc(F)ccc1-n1cccn1.
What is the InChIKey of 3-(5-fluoro-2-pyrazol-1-ylphenyl)-N,N-dimethylpropan-1-amine?
The InChIKey is HVNTXGOOWMFOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3/c1-17(2)9-3-5-12-11-13(15)6-7-14(12)18-10-4-8-16-18/h4,6-8,10-11H,3,5,9H2,1-2H3.
What are the key properties of 3-(5-fluoro-2-pyrazol-1-ylphenyl)-N,N-dimethylpropan-1-amine?
3-(5-fluoro-2-pyrazol-1-ylphenyl)-N,N-dimethylpropan-1-amine has a molecular weight of 247.32 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-pyrazol-1-ylphenyl)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 170865603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).