N-(2-fluoroethyl)-1-pyrazol-1-ylpropan-2-amine

C8H14FN3 — CID 80601447

IUPACN-(2-fluoroethyl)-1-pyrazol-1-ylpropan-2-amine
SMILESCC(Cn1cccn1)NCCF
InChIInChI=1S/C8H14FN3/c1-8(10-5-3-9)7-12-6-2-4-11-12/h2,4,6,8,10H,3,5,7H2,1H3
InChIKeyNPYXBFKIASTIGG-UHFFFAOYSA-N
MW171.22 g/mol
LogP0.83
Rot. Bonds5

About N-(2-fluoroethyl)-1-pyrazol-1-ylpropan-2-amine

N-(2-fluoroethyl)-1-pyrazol-1-ylpropan-2-amine (PubChem CID 80601447) has the molecular formula C8H14FN3 and a molecular weight of 171.22 g/mol. Its IUPAC name is N-(2-fluoroethyl)-1-pyrazol-1-ylpropan-2-amine.

Molecular Properties

Compound NameN-(2-fluoroethyl)-1-pyrazol-1-ylpropan-2-amine
PubChem CID80601447
Molecular FormulaC8H14FN3
Molecular Weight171.22 g/mol
Exact Mass171.12
IUPAC NameN-(2-fluoroethyl)-1-pyrazol-1-ylpropan-2-amine
SMILESCC(Cn1cccn1)NCCF
InChIInChI=1S/C8H14FN3/c1-8(10-5-3-9)7-12-6-2-4-11-12/h2,4,6,8,10H,3,5,7H2,1H3
InChIKeyNPYXBFKIASTIGG-UHFFFAOYSA-N
XLogP0.83
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-pyrazol-1-ylpropan-2-amine
CID 43435880
N',N'-diethyl-N-(1-pyrazol-1-ylpropan-2-yl)ethane-1,2-diamine
CID 61462605
1-(1-pyrazol-1-ylpropan-2-ylamino)butan-2-ol
CID 61462811
1-imidazol-1-yl-N-(2-pyrazol-1-ylethyl)propan-2-amine
CID 61491585
(2R)-N-(3-methylsulfonylpropyl)-1-pyrazol-1-ylpropan-2-amine
CID 95027950
N,N-dimethyl-3-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]propane-1-sulfonamide
CID 95279961
N-(3-phenoxypropyl)-1-pyrazol-1-ylpropan-2-amine
CID 60765949
1-pyrazol-1-yl-N-(2-pyridin-3-ylethyl)propan-2-amine
CID 63264733
2-methyl-3-(1-pyrazol-1-ylpropan-2-ylamino)propanoic acid
CID 61462644
N-[(4-fluorophenyl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 43435020
1-pyrazol-1-yl-N-[(3,4,5-trifluorophenyl)methyl]propan-2-amine
CID 63051559
(E)-4-chloro-N-(1-pyrazol-1-ylpropan-2-yl)but-2-en-1-amine
CID 81429664

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-1-pyrazol-1-ylpropan-2-amine?
The IUPAC name of N-(2-fluoroethyl)-1-pyrazol-1-ylpropan-2-amine (CID 80601447) is N-(2-fluoroethyl)-1-pyrazol-1-ylpropan-2-amine.
What is the SMILES notation for N-(2-fluoroethyl)-1-pyrazol-1-ylpropan-2-amine?
The canonical SMILES for N-(2-fluoroethyl)-1-pyrazol-1-ylpropan-2-amine is CC(Cn1cccn1)NCCF.
What is the InChIKey of N-(2-fluoroethyl)-1-pyrazol-1-ylpropan-2-amine?
The InChIKey is NPYXBFKIASTIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FN3/c1-8(10-5-3-9)7-12-6-2-4-11-12/h2,4,6,8,10H,3,5,7H2,1H3.
What are the key properties of N-(2-fluoroethyl)-1-pyrazol-1-ylpropan-2-amine?
N-(2-fluoroethyl)-1-pyrazol-1-ylpropan-2-amine has a molecular weight of 171.22 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-1-pyrazol-1-ylpropan-2-amine is sourced from PubChem (CID 80601447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).