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

C23H22FN3O — CID 71022067

IUPAC4-[3-(4-fluorophenyl)-5-(1-phenylmethoxyethyl)-1H-pyrazol-4-yl]-3,4-dihydropyridine
SMILESCC(OCc1ccccc1)c1[nH]nc(-c2ccc(F)cc2)c1C1C=CN=CC1
InChIInChI=1S/C23H22FN3O/c1-16(28-15-17-5-3-2-4-6-17)22-21(18-11-13-25-14-12-18)23(27-26-22)19-7-9-20(24)10-8-19/h2-11,13-14,16,18H,12,15H2,1H3,(H,26,27)
InChIKeyPFYDCQAERADJDJ-UHFFFAOYSA-N
MW375.45 g/mol
LogP5.57
Rot. Bonds6

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

4-[3-(4-fluorophenyl)-5-(1-phenylmethoxyethyl)-1H-pyrazol-4-yl]-3,4-dihydropyridine (PubChem CID 71022067) has the molecular formula C23H22FN3O and a molecular weight of 375.45 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)-5-(1-phenylmethoxyethyl)-1H-pyrazol-4-yl]-3,4-dihydropyridine.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)-5-(1-phenylmethoxyethyl)-1H-pyrazol-4-yl]-3,4-dihydropyridine
PubChem CID71022067
Molecular FormulaC23H22FN3O
Molecular Weight375.45 g/mol
Exact Mass375.17
IUPAC Name4-[3-(4-fluorophenyl)-5-(1-phenylmethoxyethyl)-1H-pyrazol-4-yl]-3,4-dihydropyridine
SMILESCC(OCc1ccccc1)c1[nH]nc(-c2ccc(F)cc2)c1C1C=CN=CC1
InChIInChI=1S/C23H22FN3O/c1-16(28-15-17-5-3-2-4-6-17)22-21(18-11-13-25-14-12-18)23(27-26-22)19-7-9-20(24)10-8-19/h2-11,13-14,16,18H,12,15H2,1H3,(H,26,27)
InChIKeyPFYDCQAERADJDJ-UHFFFAOYSA-N
XLogP5.57
TPSA50.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.45
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenyl)-5-(1-phenylmethoxyethyl)-1H-pyrazol-4-yl]-3,4-dihydropyridine?
The IUPAC name of 4-[3-(4-fluorophenyl)-5-(1-phenylmethoxyethyl)-1H-pyrazol-4-yl]-3,4-dihydropyridine (CID 71022067) is 4-[3-(4-fluorophenyl)-5-(1-phenylmethoxyethyl)-1H-pyrazol-4-yl]-3,4-dihydropyridine.
What is the SMILES notation for 4-[3-(4-fluorophenyl)-5-(1-phenylmethoxyethyl)-1H-pyrazol-4-yl]-3,4-dihydropyridine?
The canonical SMILES for 4-[3-(4-fluorophenyl)-5-(1-phenylmethoxyethyl)-1H-pyrazol-4-yl]-3,4-dihydropyridine is CC(OCc1ccccc1)c1[nH]nc(-c2ccc(F)cc2)c1C1C=CN=CC1.
What is the InChIKey of 4-[3-(4-fluorophenyl)-5-(1-phenylmethoxyethyl)-1H-pyrazol-4-yl]-3,4-dihydropyridine?
The InChIKey is PFYDCQAERADJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O/c1-16(28-15-17-5-3-2-4-6-17)22-21(18-11-13-25-14-12-18)23(27-26-22)19-7-9-20(24)10-8-19/h2-11,13-14,16,18H,12,15H2,1H3,(H,26,27).
What are the key properties of 4-[3-(4-fluorophenyl)-5-(1-phenylmethoxyethyl)-1H-pyrazol-4-yl]-3,4-dihydropyridine?
4-[3-(4-fluorophenyl)-5-(1-phenylmethoxyethyl)-1H-pyrazol-4-yl]-3,4-dihydropyridine has a molecular weight of 375.45 g/mol, XLogP of 5.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)-5-(1-phenylmethoxyethyl)-1H-pyrazol-4-yl]-3,4-dihydropyridine is sourced from PubChem (CID 71022067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).