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

C20H22FN5 — CID 22037668

IUPAC1-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)C1CCN(c2n[nH]c(-c3ccc(F)cc3)c2-c2ccncc2)C1
InChIInChI=1S/C20H22FN5/c1-25(2)17-9-12-26(13-17)20-18(14-7-10-22-11-8-14)19(23-24-20)15-3-5-16(21)6-4-15/h3-8,10-11,17H,9,12-13H2,1-2H3,(H,23,24)
InChIKeyFSPLZTGRWZOGFZ-UHFFFAOYSA-N
MW351.43 g/mol
LogP3.42
Rot. Bonds4

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

1-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-N,N-dimethylpyrrolidin-3-amine (PubChem CID 22037668) has the molecular formula C20H22FN5 and a molecular weight of 351.43 g/mol. Its IUPAC name is 1-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-N,N-dimethylpyrrolidin-3-amine
PubChem CID22037668
Molecular FormulaC20H22FN5
Molecular Weight351.43 g/mol
Exact Mass351.19
IUPAC Name1-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)C1CCN(c2n[nH]c(-c3ccc(F)cc3)c2-c2ccncc2)C1
InChIInChI=1S/C20H22FN5/c1-25(2)17-9-12-26(13-17)20-18(14-7-10-22-11-8-14)19(23-24-20)15-3-5-16(21)6-4-15/h3-8,10-11,17H,9,12-13H2,1-2H3,(H,23,24)
InChIKeyFSPLZTGRWZOGFZ-UHFFFAOYSA-N
XLogP3.42
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine
CID 12106168
1-(5-(4-chlorophenyl)-4-(4-pyridinyl)-1H-pyrazol-3-yl)-4-methylpiperazine
CID 15541506
CID 138105936
CID 138105936
1-[5-(4-chlorophenyl)-4-(4-pyridinyl)-1H-pyrazol-3-yl]-3,5-dimethylpiperazine
CID 9842184
2-(4-fluorophenyl)-4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridine
CID 9858084
5-bromo-N4-(3-cyclopropyl-1H-pyrazol-5-yl)-N2-[(1S)-1-(4-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 11212221
1-[3-(4-chlorophenyl)-4-(pyridin-4-yl)-1H-pyrazol-5-yl]-3-methylpiperazine
CID 22037576
Pyrazole 79
CID 23647348
2-(4-(4-Fluorophenyl)-5-(1h-Pyrrol-1-Yl)-1h-Pyrazol-1-Yl)-N,N-Dimethylethanamine
CID 71306441
1-{4-[3-(4-Fluorophenyl)-1-Methyl-1h-Pyrazol-4-Yl]pyridin-2-Yl}-N-Methylmethanamine
CID 71710904
4-[3-(4-fluorophenyl)-5-(3-phenylpropyl)-1H-pyrazol-4-yl]pyridine
CID 24821653
Isopropyl-[6-piperazin-1-yl-4-(1H-pyrazol-4-yl)[2,4'']bipyridinyl-2''-yl]amine
CID 46899553

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-N,N-dimethylpyrrolidin-3-amine (CID 22037668) is 1-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-N,N-dimethylpyrrolidin-3-amine is CN(C)C1CCN(c2n[nH]c(-c3ccc(F)cc3)c2-c2ccncc2)C1.
What is the InChIKey of 1-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is FSPLZTGRWZOGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5/c1-25(2)17-9-12-26(13-17)20-18(14-7-10-22-11-8-14)19(23-24-20)15-3-5-16(21)6-4-15/h3-8,10-11,17H,9,12-13H2,1-2H3,(H,23,24).
What are the key properties of 1-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-N,N-dimethylpyrrolidin-3-amine?
1-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 351.43 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 22037668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).