3-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-N-methylpropan-1-amine

C18H19FN4 — CID 22953768

IUPAC3-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-N-methylpropan-1-amine
SMILESCNCCCc1[nH]nc(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C18H19FN4/c1-20-10-2-3-16-17(13-8-11-21-12-9-13)18(23-22-16)14-4-6-15(19)7-5-14/h4-9,11-12,20H,2-3,10H2,1H3,(H,22,23)
InChIKeyOZIKOWIZHFVCCE-UHFFFAOYSA-N
MW310.38 g/mol
LogP3.43
Rot. Bonds6

About 3-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-N-methylpropan-1-amine

3-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-N-methylpropan-1-amine (PubChem CID 22953768) has the molecular formula C18H19FN4 and a molecular weight of 310.38 g/mol. Its IUPAC name is 3-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-N-methylpropan-1-amine
PubChem CID22953768
Molecular FormulaC18H19FN4
Molecular Weight310.38 g/mol
Exact Mass310.16
IUPAC Name3-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-N-methylpropan-1-amine
SMILESCNCCCc1[nH]nc(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C18H19FN4/c1-20-10-2-3-16-17(13-8-11-21-12-9-13)18(23-22-16)14-4-6-15(19)7-5-14/h4-9,11-12,20H,2-3,10H2,1H3,(H,22,23)
InChIKeyOZIKOWIZHFVCCE-UHFFFAOYSA-N
XLogP3.43
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine
CID 12106168
Nerispirdine
CID 3081185
3-pyridin-4-yl-1H-indazole
CID 12412578
4-(2-(4-fluorophenyl)-5-(1-methylpiperidine-4-yl)-1H-pyrrol-3-yl)pyridine
CID 500899
GW-6604
CID 9861063
3-(1H-pyrazol-5-yl)pyridine
CID 7074967
5-Pyridin-3-yl-2H-pyrazol-3-ylamine
CID 7446899
4-[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]pyridine
CID 3575503
2-(4-Fluorophenyl)-6-methyl-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine
CID 9814925
2-(4-fluorophenyl)-4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridine
CID 9858084
2-(4-Isopropylphenyl)-4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridine
CID 11717091
(3-(pyridin-3-yl)-1H-pyrazol-5-yl)methanamine
CID 11993870

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-N-methylpropan-1-amine?
The IUPAC name of 3-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-N-methylpropan-1-amine (CID 22953768) is 3-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-N-methylpropan-1-amine.
What is the SMILES notation for 3-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-N-methylpropan-1-amine?
The canonical SMILES for 3-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-N-methylpropan-1-amine is CNCCCc1[nH]nc(-c2ccc(F)cc2)c1-c1ccncc1.
What is the InChIKey of 3-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-N-methylpropan-1-amine?
The InChIKey is OZIKOWIZHFVCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4/c1-20-10-2-3-16-17(13-8-11-21-12-9-13)18(23-22-16)14-4-6-15(19)7-5-14/h4-9,11-12,20H,2-3,10H2,1H3,(H,22,23).
What are the key properties of 3-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-N-methylpropan-1-amine?
3-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-N-methylpropan-1-amine has a molecular weight of 310.38 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 22953768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).