4-[5-cyclopropyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine

C17H14FN3 — CID 22262543

IUPAC4-[5-cyclopropyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine
SMILESFc1ccc(-c2n[nH]c(C3CC3)c2-c2ccncc2)cc1
InChIInChI=1S/C17H14FN3/c18-14-5-3-13(4-6-14)17-15(11-7-9-19-10-8-11)16(20-21-17)12-1-2-12/h3-10,12H,1-2H2,(H,20,21)
InChIKeyVSLBTIJMJZGEHZ-UHFFFAOYSA-N
MW279.32 g/mol
LogP4.16
Rot. Bonds3

About 4-[5-cyclopropyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine

4-[5-cyclopropyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine (PubChem CID 22262543) has the molecular formula C17H14FN3 and a molecular weight of 279.32 g/mol. Its IUPAC name is 4-[5-cyclopropyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine.

Molecular Properties

Compound Name4-[5-cyclopropyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine
PubChem CID22262543
Molecular FormulaC17H14FN3
Molecular Weight279.32 g/mol
Exact Mass279.12
IUPAC Name4-[5-cyclopropyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine
SMILESFc1ccc(-c2n[nH]c(C3CC3)c2-c2ccncc2)cc1
InChIInChI=1S/C17H14FN3/c18-14-5-3-13(4-6-14)17-15(11-7-9-19-10-8-11)16(20-21-17)12-1-2-12/h3-10,12H,1-2H2,(H,20,21)
InChIKeyVSLBTIJMJZGEHZ-UHFFFAOYSA-N
XLogP4.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[5-cyclopropyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine?
The IUPAC name of 4-[5-cyclopropyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine (CID 22262543) is 4-[5-cyclopropyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine.
What is the SMILES notation for 4-[5-cyclopropyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine?
The canonical SMILES for 4-[5-cyclopropyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine is Fc1ccc(-c2n[nH]c(C3CC3)c2-c2ccncc2)cc1.
What is the InChIKey of 4-[5-cyclopropyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine?
The InChIKey is VSLBTIJMJZGEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3/c18-14-5-3-13(4-6-14)17-15(11-7-9-19-10-8-11)16(20-21-17)12-1-2-12/h3-10,12H,1-2H2,(H,20,21).
What are the key properties of 4-[5-cyclopropyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine?
4-[5-cyclopropyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine has a molecular weight of 279.32 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-cyclopropyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine is sourced from PubChem (CID 22262543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).