[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methanamine

C14H18FN3 — CID 114069106

IUPAC[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methanamine
SMILESCCc1c(C)nn(-c2c(F)cccc2CN)c1C
InChIInChI=1S/C14H18FN3/c1-4-12-9(2)17-18(10(12)3)14-11(8-16)6-5-7-13(14)15/h5-7H,4,8,16H2,1-3H3
InChIKeyTZYOYHAJCKDCIW-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.65
Rot. Bonds3

About [2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methanamine

[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methanamine (PubChem CID 114069106) has the molecular formula C14H18FN3 and a molecular weight of 247.32 g/mol. Its IUPAC name is [2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methanamine.

Molecular Properties

Compound Name[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methanamine
PubChem CID114069106
Molecular FormulaC14H18FN3
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC Name[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methanamine
SMILESCCc1c(C)nn(-c2c(F)cccc2CN)c1C
InChIInChI=1S/C14H18FN3/c1-4-12-9(2)17-18(10(12)3)14-11(8-16)6-5-7-13(14)15/h5-7H,4,8,16H2,1-3H3
InChIKeyTZYOYHAJCKDCIW-UHFFFAOYSA-N
XLogP2.65
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-6-fluorophenyl]ethanol
CID 61237972
[2-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanamine
CID 61238142
4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3,5-difluoro-N'-hydroxybenzenecarboximidamide
CID 81286051
4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3,5-difluorobenzonitrile
CID 81283123
1-(2,3-dichlorophenyl)-4-ethyl-3,5-dimethylpyrazole
CID 50888272
(1S)-1-[4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]ethanamine
CID 55189262
5-bromo-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-4-fluoroaniline
CID 66112125
[3-bromo-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]methanamine
CID 82797008
1-(4-chlorophenyl)-4-ethyl-3,5-dimethylpyrazole
CID 50888250
2-(4-ethyl-3,5-dimethylpyrazol-1-yl)benzaldehyde
CID 61238668
4-ethyl-1-(2-methoxy-3-methylphenyl)-3,5-dimethylpyrazole
CID 154383743
[6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methanamine
CID 61237579

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methanamine?
The IUPAC name of [2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methanamine (CID 114069106) is [2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methanamine.
What is the SMILES notation for [2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methanamine?
The canonical SMILES for [2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methanamine is CCc1c(C)nn(-c2c(F)cccc2CN)c1C.
What is the InChIKey of [2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methanamine?
The InChIKey is TZYOYHAJCKDCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3/c1-4-12-9(2)17-18(10(12)3)14-11(8-16)6-5-7-13(14)15/h5-7H,4,8,16H2,1-3H3.
What are the key properties of [2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methanamine?
[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methanamine has a molecular weight of 247.32 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methanamine is sourced from PubChem (CID 114069106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).