1-(3-fluorophenyl)-3,5-bis(1-methylpyrazol-4-yl)pyrazole

C17H15FN6 — CID 19588186

IUPAC1-(3-fluorophenyl)-3,5-bis(1-methylpyrazol-4-yl)pyrazole
SMILESCn1cc(-c2cc(-c3cnn(C)c3)n(-c3cccc(F)c3)n2)cn1
InChIInChI=1S/C17H15FN6/c1-22-10-12(8-19-22)16-7-17(13-9-20-23(2)11-13)24(21-16)15-5-3-4-14(18)6-15/h3-11H,1-2H3
InChIKeyYNPGBTVDKQYDQW-UHFFFAOYSA-N
MW322.35 g/mol
LogP2.81
Rot. Bonds3

About 1-(3-fluorophenyl)-3,5-bis(1-methylpyrazol-4-yl)pyrazole

1-(3-fluorophenyl)-3,5-bis(1-methylpyrazol-4-yl)pyrazole (PubChem CID 19588186) has the molecular formula C17H15FN6 and a molecular weight of 322.35 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3,5-bis(1-methylpyrazol-4-yl)pyrazole.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3,5-bis(1-methylpyrazol-4-yl)pyrazole
PubChem CID19588186
Molecular FormulaC17H15FN6
Molecular Weight322.35 g/mol
Exact Mass322.13
IUPAC Name1-(3-fluorophenyl)-3,5-bis(1-methylpyrazol-4-yl)pyrazole
SMILESCn1cc(-c2cc(-c3cnn(C)c3)n(-c3cccc(F)c3)n2)cn1
InChIInChI=1S/C17H15FN6/c1-22-10-12(8-19-22)16-7-17(13-9-20-23(2)11-13)24(21-16)15-5-3-4-14(18)6-15/h3-11H,1-2H3
InChIKeyYNPGBTVDKQYDQW-UHFFFAOYSA-N
XLogP2.81
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.35
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-methylphenyl)-3,5-bis(1-methylpyrazol-4-yl)pyrazole
CID 19588182
3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-amine
CID 71040961
3-(4-fluorophenyl)-1,5-diphenylpyrazole
CID 14978147
N-[(1S)-1-(3-fluorophenyl)ethyl]-2,6-bis(1-methylpyrazol-4-yl)pyrimidine-4-carboxamide
CID 165389673
4,6-dichloro-5-(3-fluorophenyl)-2-(1-methylpyrazol-4-yl)pyrimidine
CID 79431922
3-(1-aminoethyl)-2-(3-fluorophenyl)-8-(1-methylpyrazol-4-yl)isoquinolin-1-one
CID 78043071
3-[2-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethynyl]-4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine
CID 58404925
[3-[3,5-bis[3-(4-methylpiperazine-1-carbonyl)phenyl]pyrazol-1-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 174683882
4-methyl-6-(4-methylphenyl)-2-(1-methylpyrazol-4-yl)pyridazin-3-one
CID 156513153
4-bromo-2-(3-fluorophenyl)-5-methylpyridazin-3-one
CID 13187397
4-(2-fluoro-3-propan-2-ylphenyl)-1-methylpyrazole
CID 121383013
4-[2-(3-fluorophenyl)pyrazol-3-yl]pyridine
CID 56956145

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3,5-bis(1-methylpyrazol-4-yl)pyrazole?
The IUPAC name of 1-(3-fluorophenyl)-3,5-bis(1-methylpyrazol-4-yl)pyrazole (CID 19588186) is 1-(3-fluorophenyl)-3,5-bis(1-methylpyrazol-4-yl)pyrazole.
What is the SMILES notation for 1-(3-fluorophenyl)-3,5-bis(1-methylpyrazol-4-yl)pyrazole?
The canonical SMILES for 1-(3-fluorophenyl)-3,5-bis(1-methylpyrazol-4-yl)pyrazole is Cn1cc(-c2cc(-c3cnn(C)c3)n(-c3cccc(F)c3)n2)cn1.
What is the InChIKey of 1-(3-fluorophenyl)-3,5-bis(1-methylpyrazol-4-yl)pyrazole?
The InChIKey is YNPGBTVDKQYDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN6/c1-22-10-12(8-19-22)16-7-17(13-9-20-23(2)11-13)24(21-16)15-5-3-4-14(18)6-15/h3-11H,1-2H3.
What are the key properties of 1-(3-fluorophenyl)-3,5-bis(1-methylpyrazol-4-yl)pyrazole?
1-(3-fluorophenyl)-3,5-bis(1-methylpyrazol-4-yl)pyrazole has a molecular weight of 322.35 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3,5-bis(1-methylpyrazol-4-yl)pyrazole is sourced from PubChem (CID 19588186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).