3,5-bis(1,3-dimethylpyrazol-4-yl)-1-[(4-fluorophenyl)methyl]pyrazole

C20H21FN6 — CID 19588213

IUPAC3,5-bis(1,3-dimethylpyrazol-4-yl)-1-[(4-fluorophenyl)methyl]pyrazole
SMILESCc1nn(C)cc1-c1cc(-c2cn(C)nc2C)n(Cc2ccc(F)cc2)n1
InChIInChI=1S/C20H21FN6/c1-13-17(11-25(3)22-13)19-9-20(18-12-26(4)23-14(18)2)27(24-19)10-15-5-7-16(21)8-6-15/h5-9,11-12H,10H2,1-4H3
InChIKeyFIZUJMPJTBTABT-UHFFFAOYSA-N
MW364.43 g/mol
LogP3.49
Rot. Bonds4

About 3,5-bis(1,3-dimethylpyrazol-4-yl)-1-[(4-fluorophenyl)methyl]pyrazole

3,5-bis(1,3-dimethylpyrazol-4-yl)-1-[(4-fluorophenyl)methyl]pyrazole (PubChem CID 19588213) has the molecular formula C20H21FN6 and a molecular weight of 364.43 g/mol. Its IUPAC name is 3,5-bis(1,3-dimethylpyrazol-4-yl)-1-[(4-fluorophenyl)methyl]pyrazole.

Molecular Properties

Compound Name3,5-bis(1,3-dimethylpyrazol-4-yl)-1-[(4-fluorophenyl)methyl]pyrazole
PubChem CID19588213
Molecular FormulaC20H21FN6
Molecular Weight364.43 g/mol
Exact Mass364.18
IUPAC Name3,5-bis(1,3-dimethylpyrazol-4-yl)-1-[(4-fluorophenyl)methyl]pyrazole
SMILESCc1nn(C)cc1-c1cc(-c2cn(C)nc2C)n(Cc2ccc(F)cc2)n1
InChIInChI=1S/C20H21FN6/c1-13-17(11-25(3)22-13)19-9-20(18-12-26(4)23-14(18)2)27(24-19)10-15-5-7-16(21)8-6-15/h5-9,11-12H,10H2,1-4H3
InChIKeyFIZUJMPJTBTABT-UHFFFAOYSA-N
XLogP3.49
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Fezolamine
CID 54567
4-(4-Methylphenyl)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]triazole
CID 152221091
4-(2-Fluorophenyl)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]triazole
CID 152346369
1-Methyl-3-phenyl-1H-pyrazole
CID 137946
3-Methyl-5-[(1-methyl-3-phenylpyrazol-5-yl)methyl]pyridine
CID 137631806
N-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-N-methyl-2-(1-methyl-1H-pyrazol-4-yl)ethanamine
CID 16190778
1-ethyl-3-methyl-4-[(3-methyl-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)methyl]-1H-pyrazole
CID 2986538
4-[3-(4-Fluorophenyl)-1-methyl-1h-pyrazol-4-yl]pyridine
CID 22037373
1-[[4-(1-Methylpyrazol-4-yl)phenyl]methyl]-4-[4-(trifluoromethyl)phenyl]triazole
CID 150336955
1-[[4-(1-Methylpyrazol-4-yl)phenyl]methyl]-4-phenyltriazole
CID 151105657
1-[[4-(1-Methylpyrazol-4-yl)phenyl]methyl]-4-[3-(trifluoromethyl)phenyl]triazole
CID 151428103
4-(3-Methylphenyl)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]triazole
CID 152015157

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(1,3-dimethylpyrazol-4-yl)-1-[(4-fluorophenyl)methyl]pyrazole?
The IUPAC name of 3,5-bis(1,3-dimethylpyrazol-4-yl)-1-[(4-fluorophenyl)methyl]pyrazole (CID 19588213) is 3,5-bis(1,3-dimethylpyrazol-4-yl)-1-[(4-fluorophenyl)methyl]pyrazole.
What is the SMILES notation for 3,5-bis(1,3-dimethylpyrazol-4-yl)-1-[(4-fluorophenyl)methyl]pyrazole?
The canonical SMILES for 3,5-bis(1,3-dimethylpyrazol-4-yl)-1-[(4-fluorophenyl)methyl]pyrazole is Cc1nn(C)cc1-c1cc(-c2cn(C)nc2C)n(Cc2ccc(F)cc2)n1.
What is the InChIKey of 3,5-bis(1,3-dimethylpyrazol-4-yl)-1-[(4-fluorophenyl)methyl]pyrazole?
The InChIKey is FIZUJMPJTBTABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN6/c1-13-17(11-25(3)22-13)19-9-20(18-12-26(4)23-14(18)2)27(24-19)10-15-5-7-16(21)8-6-15/h5-9,11-12H,10H2,1-4H3.
What are the key properties of 3,5-bis(1,3-dimethylpyrazol-4-yl)-1-[(4-fluorophenyl)methyl]pyrazole?
3,5-bis(1,3-dimethylpyrazol-4-yl)-1-[(4-fluorophenyl)methyl]pyrazole has a molecular weight of 364.43 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(1,3-dimethylpyrazol-4-yl)-1-[(4-fluorophenyl)methyl]pyrazole is sourced from PubChem (CID 19588213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).