3-[2-(2-fluorophenyl)ethyl]-1-methylpyrazol-5-amine

C12H14FN3 — CID 82079512

IUPAC3-[2-(2-fluorophenyl)ethyl]-1-methylpyrazol-5-amine
SMILESCn1nc(CCc2ccccc2F)cc1N
InChIInChI=1S/C12H14FN3/c1-16-12(14)8-10(15-16)7-6-9-4-2-3-5-11(9)13/h2-5,8H,6-7,14H2,1H3
InChIKeyGHQZZEAOFOYVOW-UHFFFAOYSA-N
MW219.26 g/mol
LogP1.93
Rot. Bonds3

About 3-[2-(2-fluorophenyl)ethyl]-1-methylpyrazol-5-amine

3-[2-(2-fluorophenyl)ethyl]-1-methylpyrazol-5-amine (PubChem CID 82079512) has the molecular formula C12H14FN3 and a molecular weight of 219.26 g/mol. Its IUPAC name is 3-[2-(2-fluorophenyl)ethyl]-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-[2-(2-fluorophenyl)ethyl]-1-methylpyrazol-5-amine
PubChem CID82079512
Molecular FormulaC12H14FN3
Molecular Weight219.26 g/mol
Exact Mass219.12
IUPAC Name3-[2-(2-fluorophenyl)ethyl]-1-methylpyrazol-5-amine
SMILESCn1nc(CCc2ccccc2F)cc1N
InChIInChI=1S/C12H14FN3/c1-16-12(14)8-10(15-16)7-6-9-4-2-3-5-11(9)13/h2-5,8H,6-7,14H2,1H3
InChIKeyGHQZZEAOFOYVOW-UHFFFAOYSA-N
XLogP1.93
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-(2-thiophen-2-ylethyl)pyrazol-5-amine
CID 82077522
1-methyl-3-(2-naphthalen-2-yloxyethyl)pyrazol-5-amine
CID 82092271
3-(aminomethyl)-1-methylpyrazol-5-amine
CID 82502392
5-N-[2-(2-fluorophenyl)ethyl]-1,3-dimethylpyrazole-4,5-diamine
CID 43554049
3-[(3-fluorophenyl)methyl]-1-methylpyrazol-5-amine
CID 115092972
3-[(4-fluorophenoxy)methyl]-1-methylpyrazol-5-amine
CID 82079978
3-[(2-fluorophenyl)methyl]-1-methylpyrazole-5-carbaldehyde
CID 115093064
1-(2-fluorophenyl)-3-propylpyrazol-5-amine
CID 82079514
1-methyl-3-[[2-(trifluoromethyl)phenoxy]methyl]pyrazol-5-amine
CID 117215894
[4-[2-(2-fluorophenyl)ethyl]-1,2,4-triazol-3-yl]methanamine
CID 82472571
3-[2-(3-chlorophenoxy)ethyl]-1-methylpyrazol-5-amine
CID 82087820
1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-amine
CID 7019295

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-fluorophenyl)ethyl]-1-methylpyrazol-5-amine?
The IUPAC name of 3-[2-(2-fluorophenyl)ethyl]-1-methylpyrazol-5-amine (CID 82079512) is 3-[2-(2-fluorophenyl)ethyl]-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-[2-(2-fluorophenyl)ethyl]-1-methylpyrazol-5-amine?
The canonical SMILES for 3-[2-(2-fluorophenyl)ethyl]-1-methylpyrazol-5-amine is Cn1nc(CCc2ccccc2F)cc1N.
What is the InChIKey of 3-[2-(2-fluorophenyl)ethyl]-1-methylpyrazol-5-amine?
The InChIKey is GHQZZEAOFOYVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3/c1-16-12(14)8-10(15-16)7-6-9-4-2-3-5-11(9)13/h2-5,8H,6-7,14H2,1H3.
What are the key properties of 3-[2-(2-fluorophenyl)ethyl]-1-methylpyrazol-5-amine?
3-[2-(2-fluorophenyl)ethyl]-1-methylpyrazol-5-amine has a molecular weight of 219.26 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-fluorophenyl)ethyl]-1-methylpyrazol-5-amine is sourced from PubChem (CID 82079512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).