N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-pyridin-2-ylbutan-1-amine

C19H21FN4 — CID 46990222

IUPACN-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-pyridin-2-ylbutan-1-amine
SMILESFc1ccc(-c2[nH]ncc2CNCCCCc2ccccn2)cc1
InChIInChI=1S/C19H21FN4/c20-17-9-7-15(8-10-17)19-16(14-23-24-19)13-21-11-3-1-5-18-6-2-4-12-22-18/h2,4,6-10,12,14,21H,1,3,5,11,13H2,(H,23,24)
InChIKeyRIVFHVLHVFSPBI-UHFFFAOYSA-N
MW324.40 g/mol
LogP3.72
Rot. Bonds8

About N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-pyridin-2-ylbutan-1-amine

N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-pyridin-2-ylbutan-1-amine (PubChem CID 46990222) has the molecular formula C19H21FN4 and a molecular weight of 324.40 g/mol. Its IUPAC name is N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-pyridin-2-ylbutan-1-amine.

Molecular Properties

Compound NameN-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-pyridin-2-ylbutan-1-amine
PubChem CID46990222
Molecular FormulaC19H21FN4
Molecular Weight324.40 g/mol
Exact Mass324.18
IUPAC NameN-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-pyridin-2-ylbutan-1-amine
SMILESFc1ccc(-c2[nH]ncc2CNCCCCc2ccccn2)cc1
InChIInChI=1S/C19H21FN4/c20-17-9-7-15(8-10-17)19-16(14-23-24-19)13-21-11-3-1-5-18-6-2-4-12-22-18/h2,4,6-10,12,14,21H,1,3,5,11,13H2,(H,23,24)
InChIKeyRIVFHVLHVFSPBI-UHFFFAOYSA-N
XLogP3.72
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 53.72
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

N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]butan-1-amine
CID 4590247
N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-1-pyridin-2-ylmethanamine
CID 4213259
4-pyridin-2-yl-N-(pyridin-2-ylmethyl)butan-1-amine
CID 158855450
N'-phenyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propane-1,3-diamine
CID 166195819
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(2-pyrazol-1-yl-3-pyridinyl)methanamine
CID 47030685
N-[(4-fluorophenyl)methyl]-2-pyridin-2-ylethanamine
CID 13082717
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2-propoxyethanamine
CID 46983886
N-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl]-3-(2-fluorophenoxy)propan-1-amine
CID 47052274
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 45225388
4-fluoro-N-[2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]ethyl]benzamide
CID 46998774
4-(2-chloroethyl)-5-(4-fluorophenyl)-1H-pyrazole
CID 118289528
2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 4723814

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-pyridin-2-ylbutan-1-amine?
The IUPAC name of N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-pyridin-2-ylbutan-1-amine (CID 46990222) is N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-pyridin-2-ylbutan-1-amine.
What is the SMILES notation for N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-pyridin-2-ylbutan-1-amine?
The canonical SMILES for N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-pyridin-2-ylbutan-1-amine is Fc1ccc(-c2[nH]ncc2CNCCCCc2ccccn2)cc1.
What is the InChIKey of N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-pyridin-2-ylbutan-1-amine?
The InChIKey is RIVFHVLHVFSPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4/c20-17-9-7-15(8-10-17)19-16(14-23-24-19)13-21-11-3-1-5-18-6-2-4-12-22-18/h2,4,6-10,12,14,21H,1,3,5,11,13H2,(H,23,24).
What are the key properties of N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-pyridin-2-ylbutan-1-amine?
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-pyridin-2-ylbutan-1-amine has a molecular weight of 324.40 g/mol, XLogP of 3.72, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-pyridin-2-ylbutan-1-amine is sourced from PubChem (CID 46990222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).