4-[3-(4-fluorophenyl)-5-(3-pyrazol-1-ylpropyl)-1H-pyrazol-4-yl]-3,4-dihydropyridine

C20H20FN5 — CID 71021987

IUPAC4-[3-(4-fluorophenyl)-5-(3-pyrazol-1-ylpropyl)-1H-pyrazol-4-yl]-3,4-dihydropyridine
SMILESFc1ccc(-c2n[nH]c(CCCn3cccn3)c2C2C=CN=CC2)cc1
InChIInChI=1S/C20H20FN5/c21-17-6-4-16(5-7-17)20-19(15-8-11-22-12-9-15)18(24-25-20)3-1-13-26-14-2-10-23-26/h2,4-8,10-12,14-15H,1,3,9,13H2,(H,24,25)
InChIKeyDOQYAFVJXQHVSW-UHFFFAOYSA-N
MW349.41 g/mol
LogP4.12
Rot. Bonds6

About 4-[3-(4-fluorophenyl)-5-(3-pyrazol-1-ylpropyl)-1H-pyrazol-4-yl]-3,4-dihydropyridine

4-[3-(4-fluorophenyl)-5-(3-pyrazol-1-ylpropyl)-1H-pyrazol-4-yl]-3,4-dihydropyridine (PubChem CID 71021987) has the molecular formula C20H20FN5 and a molecular weight of 349.41 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)-5-(3-pyrazol-1-ylpropyl)-1H-pyrazol-4-yl]-3,4-dihydropyridine.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)-5-(3-pyrazol-1-ylpropyl)-1H-pyrazol-4-yl]-3,4-dihydropyridine
PubChem CID71021987
Molecular FormulaC20H20FN5
Molecular Weight349.41 g/mol
Exact Mass349.17
IUPAC Name4-[3-(4-fluorophenyl)-5-(3-pyrazol-1-ylpropyl)-1H-pyrazol-4-yl]-3,4-dihydropyridine
SMILESFc1ccc(-c2n[nH]c(CCCn3cccn3)c2C2C=CN=CC2)cc1
InChIInChI=1S/C20H20FN5/c21-17-6-4-16(5-7-17)20-19(15-8-11-22-12-9-15)18(24-25-20)3-1-13-26-14-2-10-23-26/h2,4-8,10-12,14-15H,1,3,9,13H2,(H,24,25)
InChIKeyDOQYAFVJXQHVSW-UHFFFAOYSA-N
XLogP4.12
TPSA58.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenyl)-5-(3-pyrazol-1-ylpropyl)-1H-pyrazol-4-yl]-3,4-dihydropyridine?
The IUPAC name of 4-[3-(4-fluorophenyl)-5-(3-pyrazol-1-ylpropyl)-1H-pyrazol-4-yl]-3,4-dihydropyridine (CID 71021987) is 4-[3-(4-fluorophenyl)-5-(3-pyrazol-1-ylpropyl)-1H-pyrazol-4-yl]-3,4-dihydropyridine.
What is the SMILES notation for 4-[3-(4-fluorophenyl)-5-(3-pyrazol-1-ylpropyl)-1H-pyrazol-4-yl]-3,4-dihydropyridine?
The canonical SMILES for 4-[3-(4-fluorophenyl)-5-(3-pyrazol-1-ylpropyl)-1H-pyrazol-4-yl]-3,4-dihydropyridine is Fc1ccc(-c2n[nH]c(CCCn3cccn3)c2C2C=CN=CC2)cc1.
What is the InChIKey of 4-[3-(4-fluorophenyl)-5-(3-pyrazol-1-ylpropyl)-1H-pyrazol-4-yl]-3,4-dihydropyridine?
The InChIKey is DOQYAFVJXQHVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5/c21-17-6-4-16(5-7-17)20-19(15-8-11-22-12-9-15)18(24-25-20)3-1-13-26-14-2-10-23-26/h2,4-8,10-12,14-15H,1,3,9,13H2,(H,24,25).
What are the key properties of 4-[3-(4-fluorophenyl)-5-(3-pyrazol-1-ylpropyl)-1H-pyrazol-4-yl]-3,4-dihydropyridine?
4-[3-(4-fluorophenyl)-5-(3-pyrazol-1-ylpropyl)-1H-pyrazol-4-yl]-3,4-dihydropyridine has a molecular weight of 349.41 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)-5-(3-pyrazol-1-ylpropyl)-1H-pyrazol-4-yl]-3,4-dihydropyridine is sourced from PubChem (CID 71021987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).