(1R)-1-(4-fluorophenyl)-N-(2-pyrazol-1-ylethyl)ethanamine

C13H16FN3 — CID 81347351

IUPAC(1R)-1-(4-fluorophenyl)-N-(2-pyrazol-1-ylethyl)ethanamine
SMILESC[C@@H](NCCn1cccn1)c1ccc(F)cc1
InChIInChI=1S/C13H16FN3/c1-11(12-3-5-13(14)6-4-12)15-8-10-17-9-2-7-16-17/h2-7,9,11,15H,8,10H2,1H3/t11-/m1/s1
InChIKeyGDFKNYCJQSHPRK-LLVKDONJSA-N
MW233.29 g/mol
LogP2.37
Rot. Bonds5

About (1R)-1-(4-fluorophenyl)-N-(2-pyrazol-1-ylethyl)ethanamine

(1R)-1-(4-fluorophenyl)-N-(2-pyrazol-1-ylethyl)ethanamine (PubChem CID 81347351) has the molecular formula C13H16FN3 and a molecular weight of 233.29 g/mol. Its IUPAC name is (1R)-1-(4-fluorophenyl)-N-(2-pyrazol-1-ylethyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(4-fluorophenyl)-N-(2-pyrazol-1-ylethyl)ethanamine
PubChem CID81347351
Molecular FormulaC13H16FN3
Molecular Weight233.29 g/mol
Exact Mass233.13
IUPAC Name(1R)-1-(4-fluorophenyl)-N-(2-pyrazol-1-ylethyl)ethanamine
SMILESC[C@@H](NCCn1cccn1)c1ccc(F)cc1
InChIInChI=1S/C13H16FN3/c1-11(12-3-5-13(14)6-4-12)15-8-10-17-9-2-7-16-17/h2-7,9,11,15H,8,10H2,1H3/t11-/m1/s1
InChIKeyGDFKNYCJQSHPRK-LLVKDONJSA-N
XLogP2.37
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-1H-pyrazol-3-amine
CID 1508616
1-(2-fluorobenzyl)-1H-pyrazol-4-amine
CID 4362222
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CID 9859429
1-{4-[3-(4-Fluorophenyl)-1-Methyl-1h-Pyrazol-4-Yl]pyridin-2-Yl}-N-Methylmethanamine
CID 71710904
1-(4-Fluorobenzyl)-1H-pyrazol-4-amine hydrochloride
CID 16192840
1-Methyl-3-phenyl-1H-pyrazole
CID 137946
1-(4-Fluorobenzyl)-1H-pyrazol-3-amine
CID 573281
1-benzyl-1H-pyrazol-4-amine
CID 206694
4-(1H-pyrazol-1-ylmethyl)aniline
CID 2764412
1-[2-(1H-pyrazol-1-yl)phenyl]methanamine
CID 7015036
(1-methyl-1H-pyrazol-5-yl)(phenyl)methanamine
CID 43817898
1-Benzyl-1H-pyrazole
CID 3546441

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-fluorophenyl)-N-(2-pyrazol-1-ylethyl)ethanamine?
The IUPAC name of (1R)-1-(4-fluorophenyl)-N-(2-pyrazol-1-ylethyl)ethanamine (CID 81347351) is (1R)-1-(4-fluorophenyl)-N-(2-pyrazol-1-ylethyl)ethanamine.
What is the SMILES notation for (1R)-1-(4-fluorophenyl)-N-(2-pyrazol-1-ylethyl)ethanamine?
The canonical SMILES for (1R)-1-(4-fluorophenyl)-N-(2-pyrazol-1-ylethyl)ethanamine is C[C@@H](NCCn1cccn1)c1ccc(F)cc1.
What is the InChIKey of (1R)-1-(4-fluorophenyl)-N-(2-pyrazol-1-ylethyl)ethanamine?
The InChIKey is GDFKNYCJQSHPRK-LLVKDONJSA-N. The full InChI is InChI=1S/C13H16FN3/c1-11(12-3-5-13(14)6-4-12)15-8-10-17-9-2-7-16-17/h2-7,9,11,15H,8,10H2,1H3/t11-/m1/s1.
What are the key properties of (1R)-1-(4-fluorophenyl)-N-(2-pyrazol-1-ylethyl)ethanamine?
(1R)-1-(4-fluorophenyl)-N-(2-pyrazol-1-ylethyl)ethanamine has a molecular weight of 233.29 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-fluorophenyl)-N-(2-pyrazol-1-ylethyl)ethanamine is sourced from PubChem (CID 81347351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).