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

C19H21FN4 — CID 22953900

IUPAC4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-N-methylbutan-1-amine
SMILESCNCCCCc1[nH]nc(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C19H21FN4/c1-21-11-3-2-4-17-18(14-9-12-22-13-10-14)19(24-23-17)15-5-7-16(20)8-6-15/h5-10,12-13,21H,2-4,11H2,1H3,(H,23,24)
InChIKeyUUQNBUCKOMDNOK-UHFFFAOYSA-N
MW324.40 g/mol
LogP3.82
Rot. Bonds7

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

4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-N-methylbutan-1-amine (PubChem CID 22953900) has the molecular formula C19H21FN4 and a molecular weight of 324.40 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-N-methylbutan-1-amine.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-N-methylbutan-1-amine
PubChem CID22953900
Molecular FormulaC19H21FN4
Molecular Weight324.40 g/mol
Exact Mass324.18
IUPAC Name4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-N-methylbutan-1-amine
SMILESCNCCCCc1[nH]nc(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C19H21FN4/c1-21-11-3-2-4-17-18(14-9-12-22-13-10-14)19(24-23-17)15-5-7-16(20)8-6-15/h5-10,12-13,21H,2-4,11H2,1H3,(H,23,24)
InChIKeyUUQNBUCKOMDNOK-UHFFFAOYSA-N
XLogP3.82
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 53.82
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)-4-pyridin-4-yl-1H-pyrazol-5-yl]butan-1-amine
CID 22953896
2-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]ethanamine
CID 22953668
4-[3-(4-fluorophenyl)-5-(3-phenylpropyl)-1H-pyrazol-4-yl]pyridine
CID 24821653
3-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-N,N-dimethylpropan-1-amine
CID 141026666
(1R)-1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]ethanamine
CID 59038044
4-[5-cyclopropyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine
CID 22262543
1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]cyclopentan-1-amine
CID 22953598
1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-4-phenylbutan-1-ol
CID 24821523
4-[5-(2-hydroxyethyl)-3-pyridin-4-yl-1H-pyrazol-4-yl]benzenesulfonamide
CID 67683899
4-[3-(4-fluorophenyl)-5-[(4-methylphenyl)methylsulfinyl]-1H-pyrazol-4-yl]pyridine
CID 20735827
2-[[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methoxy]ethyl-trimethylsilane
CID 69370736
1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-1-phenylethanol
CID 174424847

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-N-methylbutan-1-amine?
The IUPAC name of 4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-N-methylbutan-1-amine (CID 22953900) is 4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-N-methylbutan-1-amine.
What is the SMILES notation for 4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-N-methylbutan-1-amine?
The canonical SMILES for 4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-N-methylbutan-1-amine is CNCCCCc1[nH]nc(-c2ccc(F)cc2)c1-c1ccncc1.
What is the InChIKey of 4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-N-methylbutan-1-amine?
The InChIKey is UUQNBUCKOMDNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4/c1-21-11-3-2-4-17-18(14-9-12-22-13-10-14)19(24-23-17)15-5-7-16(20)8-6-15/h5-10,12-13,21H,2-4,11H2,1H3,(H,23,24).
What are the key properties of 4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-N-methylbutan-1-amine?
4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-N-methylbutan-1-amine has a molecular weight of 324.40 g/mol, XLogP of 3.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-N-methylbutan-1-amine is sourced from PubChem (CID 22953900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).