1-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-yl]-3,5-dimethylpyrazole

C19H22FN5 — CID 50950106

IUPAC1-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-yl]-3,5-dimethylpyrazole
SMILESCc1cc(C)n(C2CCN(Cc3cn[nH]c3-c3ccc(F)cc3)C2)n1
InChIInChI=1S/C19H22FN5/c1-13-9-14(2)25(23-13)18-7-8-24(12-18)11-16-10-21-22-19(16)15-3-5-17(20)6-4-15/h3-6,9-10,18H,7-8,11-12H2,1-2H3,(H,21,22)
InChIKeyBTXCIUVHNQKWRL-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.48
Rot. Bonds4

About 1-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-yl]-3,5-dimethylpyrazole

1-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-yl]-3,5-dimethylpyrazole (PubChem CID 50950106) has the molecular formula C19H22FN5 and a molecular weight of 339.42 g/mol. Its IUPAC name is 1-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-yl]-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-yl]-3,5-dimethylpyrazole
PubChem CID50950106
Molecular FormulaC19H22FN5
Molecular Weight339.42 g/mol
Exact Mass339.19
IUPAC Name1-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-yl]-3,5-dimethylpyrazole
SMILESCc1cc(C)n(C2CCN(Cc3cn[nH]c3-c3ccc(F)cc3)C2)n1
InChIInChI=1S/C19H22FN5/c1-13-9-14(2)25(23-13)18-7-8-24(12-18)11-16-10-21-22-19(16)15-3-5-17(20)6-4-15/h3-6,9-10,18H,7-8,11-12H2,1-2H3,(H,21,22)
InChIKeyBTXCIUVHNQKWRL-UHFFFAOYSA-N
XLogP3.48
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-yl]-3,5-dimethylpyrazole with MolForge

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Related Compounds

N-{[5-(4-Fluorophenyl)-1h-Pyrazol-4-Yl]methyl}-N-Methylethane-1,2-Diamine
CID 86304614
4-(3-methylphenyl)-1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]triazole
CID 152058632
4-(2-Fluorophenyl)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]triazole
CID 152346369
N-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-N-methyl-2-(1-methyl-1H-pyrazol-4-yl)ethanamine
CID 16190778
N'-{(E)-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methylidene}-2-(5-methyl-1H-pyrazol-1-yl)acetohydrazide
CID 135632208
1-(4-fluorophenyl)-4-{[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}piperazine
CID 2812412
2-(4-(4-Fluorophenyl)-1H-pyrazol-3-yl)-6-methylpyridine
CID 10083602
2-[4-(4-Fluoro-phenyl)-1H-pyrazol-3-yl]-pyridine
CID 10900715
2-[4-(3,4-Difluoro-phenyl)-1H-pyrazol-3-yl]-6-methyl-pyridine
CID 11807788
4-(2-fluorophenyl)-1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]triazole
CID 141538430
1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]-4-[4-(trifluoromethyl)phenyl]triazole
CID 150482255
3-(2-Fluorophenyl)-5-methyl-2-(pyridin-3-ylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole
CID 155591385

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-yl]-3,5-dimethylpyrazole?
The IUPAC name of 1-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-yl]-3,5-dimethylpyrazole (CID 50950106) is 1-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-yl]-3,5-dimethylpyrazole.
What is the SMILES notation for 1-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-yl]-3,5-dimethylpyrazole?
The canonical SMILES for 1-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-yl]-3,5-dimethylpyrazole is Cc1cc(C)n(C2CCN(Cc3cn[nH]c3-c3ccc(F)cc3)C2)n1.
What is the InChIKey of 1-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-yl]-3,5-dimethylpyrazole?
The InChIKey is BTXCIUVHNQKWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5/c1-13-9-14(2)25(23-13)18-7-8-24(12-18)11-16-10-21-22-19(16)15-3-5-17(20)6-4-15/h3-6,9-10,18H,7-8,11-12H2,1-2H3,(H,21,22).
What are the key properties of 1-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-yl]-3,5-dimethylpyrazole?
1-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-yl]-3,5-dimethylpyrazole has a molecular weight of 339.42 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-yl]-3,5-dimethylpyrazole is sourced from PubChem (CID 50950106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).