(2-ethylpyrazol-3-yl)-(2-fluorophenyl)methanamine

C12H14FN3 — CID 63976398

IUPAC(2-ethylpyrazol-3-yl)-(2-fluorophenyl)methanamine
SMILESCCn1nccc1C(N)c1ccccc1F
InChIInChI=1S/C12H14FN3/c1-2-16-11(7-8-15-16)12(14)9-5-3-4-6-10(9)13/h3-8,12H,2,14H2,1H3
InChIKeyFUXUSUJUDRFIRW-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.09
Rot. Bonds3

About (2-ethylpyrazol-3-yl)-(2-fluorophenyl)methanamine

(2-ethylpyrazol-3-yl)-(2-fluorophenyl)methanamine (PubChem CID 63976398) has the molecular formula C12H14FN3 and a molecular weight of 219.26 g/mol. Its IUPAC name is (2-ethylpyrazol-3-yl)-(2-fluorophenyl)methanamine.

Molecular Properties

Compound Name(2-ethylpyrazol-3-yl)-(2-fluorophenyl)methanamine
PubChem CID63976398
Molecular FormulaC12H14FN3
Molecular Weight219.26 g/mol
Exact Mass219.12
IUPAC Name(2-ethylpyrazol-3-yl)-(2-fluorophenyl)methanamine
SMILESCCn1nccc1C(N)c1ccccc1F
InChIInChI=1S/C12H14FN3/c1-2-16-11(7-8-15-16)12(14)9-5-3-4-6-10(9)13/h3-8,12H,2,14H2,1H3
InChIKeyFUXUSUJUDRFIRW-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,6-difluorophenyl)-(2-ethylpyrazol-3-yl)methanamine
CID 79522981
(2-ethylpyrazol-3-yl)-(2-methylfuran-3-yl)methanamine
CID 104789763
(2-ethylpyrazol-3-yl)-quinolin-8-ylmethanamine
CID 105148379
(4-chloro-3-fluorophenyl)-(2-ethylpyrazol-3-yl)methanamine
CID 107993240
(2-bromo-5-chlorophenyl)-(2-ethylpyrazol-3-yl)methanamine
CID 114027064
(2-ethylpyrazol-3-yl)-(2,4,5-trimethoxyphenyl)methanamine
CID 115857825
(1,5-dimethylpyrazol-4-yl)-(2-ethylpyrazol-3-yl)methanamine
CID 105148404
1-(2-ethylpyrazol-3-yl)-2-(2-fluorophenyl)ethanol
CID 63977415
[(2,6-difluorophenyl)-(2-ethylpyrazol-3-yl)methyl]hydrazine
CID 105246676
(2-propylpyrazol-3-yl)-(2,3,4-trifluorophenyl)methanamine
CID 115857397
naphthalen-1-yl-(2-propylpyrazol-3-yl)methanamine
CID 63976392
1-(2-fluorophenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine
CID 63976399

Frequently Asked Questions

What is the IUPAC name of (2-ethylpyrazol-3-yl)-(2-fluorophenyl)methanamine?
The IUPAC name of (2-ethylpyrazol-3-yl)-(2-fluorophenyl)methanamine (CID 63976398) is (2-ethylpyrazol-3-yl)-(2-fluorophenyl)methanamine.
What is the SMILES notation for (2-ethylpyrazol-3-yl)-(2-fluorophenyl)methanamine?
The canonical SMILES for (2-ethylpyrazol-3-yl)-(2-fluorophenyl)methanamine is CCn1nccc1C(N)c1ccccc1F.
What is the InChIKey of (2-ethylpyrazol-3-yl)-(2-fluorophenyl)methanamine?
The InChIKey is FUXUSUJUDRFIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3/c1-2-16-11(7-8-15-16)12(14)9-5-3-4-6-10(9)13/h3-8,12H,2,14H2,1H3.
What are the key properties of (2-ethylpyrazol-3-yl)-(2-fluorophenyl)methanamine?
(2-ethylpyrazol-3-yl)-(2-fluorophenyl)methanamine has a molecular weight of 219.26 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpyrazol-3-yl)-(2-fluorophenyl)methanamine is sourced from PubChem (CID 63976398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).