3-[5-(3,5-difluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-(4-fluorophenyl)-2-methylpyridine

C21H16F3N3 — CID 171344577

IUPAC3-[5-(3,5-difluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-(4-fluorophenyl)-2-methylpyridine
SMILESCc1nc(-c2ccc(F)cc2)ccc1C1=NNC(c2cc(F)cc(F)c2)C1
InChIInChI=1S/C21H16F3N3/c1-12-18(6-7-19(25-12)13-2-4-15(22)5-3-13)21-11-20(26-27-21)14-8-16(23)10-17(24)9-14/h2-10,20,26H,11H2,1H3
InChIKeyRSTLHNWVRBALFU-UHFFFAOYSA-N
MW367.37 g/mol
LogP4.91
Rot. Bonds3

About 3-[5-(3,5-difluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-(4-fluorophenyl)-2-methylpyridine

3-[5-(3,5-difluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-(4-fluorophenyl)-2-methylpyridine (PubChem CID 171344577) has the molecular formula C21H16F3N3 and a molecular weight of 367.37 g/mol. Its IUPAC name is 3-[5-(3,5-difluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-(4-fluorophenyl)-2-methylpyridine.

Molecular Properties

Compound Name3-[5-(3,5-difluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-(4-fluorophenyl)-2-methylpyridine
PubChem CID171344577
Molecular FormulaC21H16F3N3
Molecular Weight367.37 g/mol
Exact Mass367.13
IUPAC Name3-[5-(3,5-difluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-(4-fluorophenyl)-2-methylpyridine
SMILESCc1nc(-c2ccc(F)cc2)ccc1C1=NNC(c2cc(F)cc(F)c2)C1
InChIInChI=1S/C21H16F3N3/c1-12-18(6-7-19(25-12)13-2-4-15(22)5-3-13)21-11-20(26-27-21)14-8-16(23)10-17(24)9-14/h2-10,20,26H,11H2,1H3
InChIKeyRSTLHNWVRBALFU-UHFFFAOYSA-N
XLogP4.91
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.37
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(3,5-difluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-(4-fluorophenyl)-2-methylpyridine?
The IUPAC name of 3-[5-(3,5-difluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-(4-fluorophenyl)-2-methylpyridine (CID 171344577) is 3-[5-(3,5-difluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-(4-fluorophenyl)-2-methylpyridine.
What is the SMILES notation for 3-[5-(3,5-difluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-(4-fluorophenyl)-2-methylpyridine?
The canonical SMILES for 3-[5-(3,5-difluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-(4-fluorophenyl)-2-methylpyridine is Cc1nc(-c2ccc(F)cc2)ccc1C1=NNC(c2cc(F)cc(F)c2)C1.
What is the InChIKey of 3-[5-(3,5-difluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-(4-fluorophenyl)-2-methylpyridine?
The InChIKey is RSTLHNWVRBALFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N3/c1-12-18(6-7-19(25-12)13-2-4-15(22)5-3-13)21-11-20(26-27-21)14-8-16(23)10-17(24)9-14/h2-10,20,26H,11H2,1H3.
What are the key properties of 3-[5-(3,5-difluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-(4-fluorophenyl)-2-methylpyridine?
3-[5-(3,5-difluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-(4-fluorophenyl)-2-methylpyridine has a molecular weight of 367.37 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3,5-difluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-(4-fluorophenyl)-2-methylpyridine is sourced from PubChem (CID 171344577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).