1-[4-(3,4-dihydropyridin-4-yl)-3-(4-fluorophenyl)-1H-pyrazol-5-yl]-3-phenylpropan-1-ol

C23H22FN3O — CID 71022065

IUPAC1-[4-(3,4-dihydropyridin-4-yl)-3-(4-fluorophenyl)-1H-pyrazol-5-yl]-3-phenylpropan-1-ol
SMILESOC(CCc1ccccc1)c1[nH]nc(-c2ccc(F)cc2)c1C1C=CN=CC1
InChIInChI=1S/C23H22FN3O/c24-19-9-7-18(8-10-19)22-21(17-12-14-25-15-13-17)23(27-26-22)20(28)11-6-16-4-2-1-3-5-16/h1-5,7-10,12,14-15,17,20,28H,6,11,13H2,(H,26,27)
InChIKeyLYPPUASEEQBSMR-UHFFFAOYSA-N
MW375.45 g/mol
LogP4.95
Rot. Bonds6

About 1-[4-(3,4-dihydropyridin-4-yl)-3-(4-fluorophenyl)-1H-pyrazol-5-yl]-3-phenylpropan-1-ol

1-[4-(3,4-dihydropyridin-4-yl)-3-(4-fluorophenyl)-1H-pyrazol-5-yl]-3-phenylpropan-1-ol (PubChem CID 71022065) has the molecular formula C23H22FN3O and a molecular weight of 375.45 g/mol. Its IUPAC name is 1-[4-(3,4-dihydropyridin-4-yl)-3-(4-fluorophenyl)-1H-pyrazol-5-yl]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name1-[4-(3,4-dihydropyridin-4-yl)-3-(4-fluorophenyl)-1H-pyrazol-5-yl]-3-phenylpropan-1-ol
PubChem CID71022065
Molecular FormulaC23H22FN3O
Molecular Weight375.45 g/mol
Exact Mass375.17
IUPAC Name1-[4-(3,4-dihydropyridin-4-yl)-3-(4-fluorophenyl)-1H-pyrazol-5-yl]-3-phenylpropan-1-ol
SMILESOC(CCc1ccccc1)c1[nH]nc(-c2ccc(F)cc2)c1C1C=CN=CC1
InChIInChI=1S/C23H22FN3O/c24-19-9-7-18(8-10-19)22-21(17-12-14-25-15-13-17)23(27-26-22)20(28)11-6-16-4-2-1-3-5-16/h1-5,7-10,12,14-15,17,20,28H,6,11,13H2,(H,26,27)
InChIKeyLYPPUASEEQBSMR-UHFFFAOYSA-N
XLogP4.95
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,4-dihydropyridin-4-yl)-3-(4-fluorophenyl)-1H-pyrazol-5-yl]-3-phenylpropan-1-ol?
The IUPAC name of 1-[4-(3,4-dihydropyridin-4-yl)-3-(4-fluorophenyl)-1H-pyrazol-5-yl]-3-phenylpropan-1-ol (CID 71022065) is 1-[4-(3,4-dihydropyridin-4-yl)-3-(4-fluorophenyl)-1H-pyrazol-5-yl]-3-phenylpropan-1-ol.
What is the SMILES notation for 1-[4-(3,4-dihydropyridin-4-yl)-3-(4-fluorophenyl)-1H-pyrazol-5-yl]-3-phenylpropan-1-ol?
The canonical SMILES for 1-[4-(3,4-dihydropyridin-4-yl)-3-(4-fluorophenyl)-1H-pyrazol-5-yl]-3-phenylpropan-1-ol is OC(CCc1ccccc1)c1[nH]nc(-c2ccc(F)cc2)c1C1C=CN=CC1.
What is the InChIKey of 1-[4-(3,4-dihydropyridin-4-yl)-3-(4-fluorophenyl)-1H-pyrazol-5-yl]-3-phenylpropan-1-ol?
The InChIKey is LYPPUASEEQBSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O/c24-19-9-7-18(8-10-19)22-21(17-12-14-25-15-13-17)23(27-26-22)20(28)11-6-16-4-2-1-3-5-16/h1-5,7-10,12,14-15,17,20,28H,6,11,13H2,(H,26,27).
What are the key properties of 1-[4-(3,4-dihydropyridin-4-yl)-3-(4-fluorophenyl)-1H-pyrazol-5-yl]-3-phenylpropan-1-ol?
1-[4-(3,4-dihydropyridin-4-yl)-3-(4-fluorophenyl)-1H-pyrazol-5-yl]-3-phenylpropan-1-ol has a molecular weight of 375.45 g/mol, XLogP of 4.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,4-dihydropyridin-4-yl)-3-(4-fluorophenyl)-1H-pyrazol-5-yl]-3-phenylpropan-1-ol is sourced from PubChem (CID 71022065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).