1-[2-(4-fluorophenyl)ethyl]pyrazol-4-amine

C11H12FN3 — CID 83532506

IUPAC1-[2-(4-fluorophenyl)ethyl]pyrazol-4-amine
SMILESNc1cnn(CCc2ccc(F)cc2)c1
InChIInChI=1S/C11H12FN3/c12-10-3-1-9(2-4-10)5-6-15-8-11(13)7-14-15/h1-4,7-8H,5-6,13H2
InChIKeySLVHDJDRXUOUPD-UHFFFAOYSA-N
MW205.24 g/mol
LogP1.85
Rot. Bonds3

About 1-[2-(4-fluorophenyl)ethyl]pyrazol-4-amine

1-[2-(4-fluorophenyl)ethyl]pyrazol-4-amine (PubChem CID 83532506) has the molecular formula C11H12FN3 and a molecular weight of 205.24 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)ethyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)ethyl]pyrazol-4-amine
PubChem CID83532506
Molecular FormulaC11H12FN3
Molecular Weight205.24 g/mol
Exact Mass205.10
IUPAC Name1-[2-(4-fluorophenyl)ethyl]pyrazol-4-amine
SMILESNc1cnn(CCc2ccc(F)cc2)c1
InChIInChI=1S/C11H12FN3/c12-10-3-1-9(2-4-10)5-6-15-8-11(13)7-14-15/h1-4,7-8H,5-6,13H2
InChIKeySLVHDJDRXUOUPD-UHFFFAOYSA-N
XLogP1.85
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-chlorophenyl)ethyl]pyrazol-4-amine
CID 83536334
1-[2-(4-fluorophenoxy)ethyl]pyrazol-4-amine
CID 50999569
2-(4-aminopyrazol-1-yl)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 43574113
1-[2-(3-phenylpropoxy)ethyl]pyrazol-4-amine
CID 62137722
1-[(4-chloro-3-fluorophenyl)methyl]pyrazol-4-amine
CID 75357825
1-[2-(4-chloropyrazol-1-yl)ethyl]pyrazol-4-amine
CID 62139555
1-(4,4-difluorobutyl)pyrazol-4-amine
CID 165472720
1-[(4-methylphenyl)methyl]pyrazol-4-amine;hydrochloride
CID 16640517
N-[2-(4-aminopyrazol-1-yl)ethyl]-2,6-difluorobenzamide
CID 115319778
1-[(4-fluorophenyl)methyl]pyrazole-4-carboxamide
CID 145294520
[1-(2-pyridin-4-ylethyl)pyrazol-4-yl]methanamine
CID 63253968
4-(azetidin-3-yloxy)-1-(2-phenylethyl)pyrazole
CID 164885760

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)ethyl]pyrazol-4-amine?
The IUPAC name of 1-[2-(4-fluorophenyl)ethyl]pyrazol-4-amine (CID 83532506) is 1-[2-(4-fluorophenyl)ethyl]pyrazol-4-amine.
What is the SMILES notation for 1-[2-(4-fluorophenyl)ethyl]pyrazol-4-amine?
The canonical SMILES for 1-[2-(4-fluorophenyl)ethyl]pyrazol-4-amine is Nc1cnn(CCc2ccc(F)cc2)c1.
What is the InChIKey of 1-[2-(4-fluorophenyl)ethyl]pyrazol-4-amine?
The InChIKey is SLVHDJDRXUOUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3/c12-10-3-1-9(2-4-10)5-6-15-8-11(13)7-14-15/h1-4,7-8H,5-6,13H2.
What are the key properties of 1-[2-(4-fluorophenyl)ethyl]pyrazol-4-amine?
1-[2-(4-fluorophenyl)ethyl]pyrazol-4-amine has a molecular weight of 205.24 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)ethyl]pyrazol-4-amine is sourced from PubChem (CID 83532506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).