2-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-2-pyridin-2-ylethanamine

C17H17FN4 — CID 83987390

IUPAC2-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-2-pyridin-2-ylethanamine
SMILESCn1nc(-c2ccc(F)cc2)cc1C(CN)c1ccccn1
InChIInChI=1S/C17H17FN4/c1-22-17(14(11-19)15-4-2-3-9-20-15)10-16(21-22)12-5-7-13(18)8-6-12/h2-10,14H,11,19H2,1H3
InChIKeyHTFOBDFQHSLLEJ-UHFFFAOYSA-N
MW296.35 g/mol
LogP2.71
Rot. Bonds4

About 2-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-2-pyridin-2-ylethanamine

2-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-2-pyridin-2-ylethanamine (PubChem CID 83987390) has the molecular formula C17H17FN4 and a molecular weight of 296.35 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-2-pyridin-2-ylethanamine.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-2-pyridin-2-ylethanamine
PubChem CID83987390
Molecular FormulaC17H17FN4
Molecular Weight296.35 g/mol
Exact Mass296.14
IUPAC Name2-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-2-pyridin-2-ylethanamine
SMILESCn1nc(-c2ccc(F)cc2)cc1C(CN)c1ccccn1
InChIInChI=1S/C17H17FN4/c1-22-17(14(11-19)15-4-2-3-9-20-15)10-16(21-22)12-5-7-13(18)8-6-12/h2-10,14H,11,19H2,1H3
InChIKeyHTFOBDFQHSLLEJ-UHFFFAOYSA-N
XLogP2.71
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-fluorophenyl)-2-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]ethanamine
CID 83987350
2-(4-ethylphenyl)-2-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]ethanamine
CID 83986500
2-(3,4-dimethylphenyl)-2-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]ethanamine
CID 83986428
2-(4-fluorophenyl)-2-pyridin-2-ylethanamine
CID 82040232
(2S)-2-(2-fluorophenyl)-2-pyridin-2-ylethanamine
CID 39243625
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methyl-3-phenylpyrazol-5-yl)ethanamine
CID 83986790
2-[4-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-1-(2-phenylethyl)piperidin-4-yl]pyridine;methane
CID 157130330
2-(4-methoxy-3-methylphenyl)-2-(1-methyl-3-phenylpyrazol-5-yl)ethanamine
CID 83986832
4-[amino(phenyl)methyl]-6-(4-fluorophenyl)-2-methylpyridazin-3-one
CID 82444027
2-[4-[4-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]pyridine
CID 171056601
1-ethyl-4-(4-fluorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]pyrrole-2-carboxamide
CID 95114044
4-(1-aminoethyl)-6-(4-fluorophenyl)-2-methylpyridazin-3-one
CID 82444034

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-2-pyridin-2-ylethanamine?
The IUPAC name of 2-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-2-pyridin-2-ylethanamine (CID 83987390) is 2-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-2-pyridin-2-ylethanamine.
What is the SMILES notation for 2-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-2-pyridin-2-ylethanamine?
The canonical SMILES for 2-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-2-pyridin-2-ylethanamine is Cn1nc(-c2ccc(F)cc2)cc1C(CN)c1ccccn1.
What is the InChIKey of 2-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-2-pyridin-2-ylethanamine?
The InChIKey is HTFOBDFQHSLLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4/c1-22-17(14(11-19)15-4-2-3-9-20-15)10-16(21-22)12-5-7-13(18)8-6-12/h2-10,14H,11,19H2,1H3.
What are the key properties of 2-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-2-pyridin-2-ylethanamine?
2-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-2-pyridin-2-ylethanamine has a molecular weight of 296.35 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-2-pyridin-2-ylethanamine is sourced from PubChem (CID 83987390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).