[4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]methanamine

C16H15FN4 — CID 73293375

IUPAC[4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]methanamine
SMILESCn1cc(-c2ccnc(CN)c2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C16H15FN4/c1-21-10-15(12-6-7-19-14(8-12)9-18)16(20-21)11-2-4-13(17)5-3-11/h2-8,10H,9,18H2,1H3
InChIKeyNZPGBDQHTUATOF-UHFFFAOYSA-N
MW282.32 g/mol
LogP2.75
Rot. Bonds3

About [4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]methanamine

[4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]methanamine (PubChem CID 73293375) has the molecular formula C16H15FN4 and a molecular weight of 282.32 g/mol. Its IUPAC name is [4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]methanamine
PubChem CID73293375
Molecular FormulaC16H15FN4
Molecular Weight282.32 g/mol
Exact Mass282.13
IUPAC Name[4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]methanamine
SMILESCn1cc(-c2ccnc(CN)c2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C16H15FN4/c1-21-10-15(12-6-7-19-14(8-12)9-18)16(20-21)11-2-4-13(17)5-3-11/h2-8,10H,9,18H2,1H3
InChIKeyNZPGBDQHTUATOF-UHFFFAOYSA-N
XLogP2.75
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-methylpyridine
CID 155401195
N-[4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]benzamide
CID 90465183
6-chloro-8-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-methylimidazo[1,2-b]pyridazine
CID 167125915
4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 57382334
4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-N-propan-2-ylpyrimidin-2-amine
CID 90465127
[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]methanol
CID 39095873
3-(chloromethyl)-4-(4-fluorophenyl)-1-methylpyrazole
CID 154672779
1-[8-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-N-methylmethanamine
CID 167125909
4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]-2-(4-methylimidazol-1-yl)pyridine
CID 90465146
9-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepin-4-ium
CID 78225541
[4-(4-fluorophenyl)-1-methylpyrazol-3-yl]methanol
CID 69207008
4-(1-methyl-4-phenylpyrazol-3-yl)pyridine
CID 20716425

Frequently Asked Questions

What is the IUPAC name of [4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]methanamine?
The IUPAC name of [4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]methanamine (CID 73293375) is [4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]methanamine.
What is the SMILES notation for [4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]methanamine?
The canonical SMILES for [4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]methanamine is Cn1cc(-c2ccnc(CN)c2)c(-c2ccc(F)cc2)n1.
What is the InChIKey of [4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]methanamine?
The InChIKey is NZPGBDQHTUATOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4/c1-21-10-15(12-6-7-19-14(8-12)9-18)16(20-21)11-2-4-13(17)5-3-11/h2-8,10H,9,18H2,1H3.
What are the key properties of [4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]methanamine?
[4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]methanamine has a molecular weight of 282.32 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]methanamine is sourced from PubChem (CID 73293375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).