2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-fluoroethanamine

C13H16FN3 — CID 115039542

IUPAC2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-fluoroethanamine
SMILESCc1nn(-c2ccccc2)c(C)c1C(F)CN
InChIInChI=1S/C13H16FN3/c1-9-13(12(14)8-15)10(2)17(16-9)11-6-4-3-5-7-11/h3-7,12H,8,15H2,1-2H3
InChIKeyXGIAYQOXFNKCSM-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.46
Rot. Bonds3

About 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-fluoroethanamine

2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-fluoroethanamine (PubChem CID 115039542) has the molecular formula C13H16FN3 and a molecular weight of 233.29 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-fluoroethanamine.

Molecular Properties

Compound Name2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-fluoroethanamine
PubChem CID115039542
Molecular FormulaC13H16FN3
Molecular Weight233.29 g/mol
Exact Mass233.13
IUPAC Name2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-fluoroethanamine
SMILESCc1nn(-c2ccccc2)c(C)c1C(F)CN
InChIInChI=1S/C13H16FN3/c1-9-13(12(14)8-15)10(2)17(16-9)11-6-4-3-5-7-11/h3-7,12H,8,15H2,1-2H3
InChIKeyXGIAYQOXFNKCSM-UHFFFAOYSA-N
XLogP2.46
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanoate
CID 62085446
1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-sulfanylpropane-1,2-diol
CID 170821242
ethyl 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2,3-dihydroxypropanoate
CID 171867474
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-ethylpropan-1-amine
CID 79220349
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propan-1-amine
CID 79220501
2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine
CID 79218757
1-[1-(3,5-dimethyl-1-phenylpyrazol-4-yl)propyl]benzotriazole
CID 3828337
N-[1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2,2,2-trifluoroethyl]methanesulfonamide
CID 71976649
(3,5-dimethyl-1-phenylpyrazol-4-yl)methanol
CID 2526674
[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)phenyl]methanamine
CID 61033660
4-(aminomethyl)-N,3-dimethyl-1-phenyl-N-propan-2-ylpyrazol-5-amine
CID 43122262
3-(4-chlorophenyl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanoic acid
CID 101421740

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-fluoroethanamine?
The IUPAC name of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-fluoroethanamine (CID 115039542) is 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-fluoroethanamine.
What is the SMILES notation for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-fluoroethanamine?
The canonical SMILES for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-fluoroethanamine is Cc1nn(-c2ccccc2)c(C)c1C(F)CN.
What is the InChIKey of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-fluoroethanamine?
The InChIKey is XGIAYQOXFNKCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3/c1-9-13(12(14)8-15)10(2)17(16-9)11-6-4-3-5-7-11/h3-7,12H,8,15H2,1-2H3.
What are the key properties of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-fluoroethanamine?
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-fluoroethanamine has a molecular weight of 233.29 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-fluoroethanamine is sourced from PubChem (CID 115039542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).