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

C23H22FN3O — CID 71021990

IUPAC3-[4-(3,4-dihydropyridin-4-yl)-3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1-phenylpropan-1-ol
SMILESOC(CCc1[nH]nc(-c2ccc(F)cc2)c1C1C=CN=CC1)c1ccccc1
InChIInChI=1S/C23H22FN3O/c24-19-8-6-18(7-9-19)23-22(17-12-14-25-15-13-17)20(26-27-23)10-11-21(28)16-4-2-1-3-5-16/h1-9,12,14-15,17,21,28H,10-11,13H2,(H,26,27)
InChIKeyAPDYWYOLSFFSHT-UHFFFAOYSA-N
MW375.45 g/mol
LogP4.95
Rot. Bonds6

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

3-[4-(3,4-dihydropyridin-4-yl)-3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1-phenylpropan-1-ol (PubChem CID 71021990) has the molecular formula C23H22FN3O and a molecular weight of 375.45 g/mol. Its IUPAC name is 3-[4-(3,4-dihydropyridin-4-yl)-3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1-phenylpropan-1-ol.

Molecular Properties

Compound Name3-[4-(3,4-dihydropyridin-4-yl)-3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1-phenylpropan-1-ol
PubChem CID71021990
Molecular FormulaC23H22FN3O
Molecular Weight375.45 g/mol
Exact Mass375.17
IUPAC Name3-[4-(3,4-dihydropyridin-4-yl)-3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1-phenylpropan-1-ol
SMILESOC(CCc1[nH]nc(-c2ccc(F)cc2)c1C1C=CN=CC1)c1ccccc1
InChIInChI=1S/C23H22FN3O/c24-19-8-6-18(7-9-19)23-22(17-12-14-25-15-13-17)20(26-27-23)10-11-21(28)16-4-2-1-3-5-16/h1-9,12,14-15,17,21,28H,10-11,13H2,(H,26,27)
InChIKeyAPDYWYOLSFFSHT-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 3-[4-(3,4-dihydropyridin-4-yl)-3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1-phenylpropan-1-ol?
The IUPAC name of 3-[4-(3,4-dihydropyridin-4-yl)-3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1-phenylpropan-1-ol (CID 71021990) is 3-[4-(3,4-dihydropyridin-4-yl)-3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1-phenylpropan-1-ol.
What is the SMILES notation for 3-[4-(3,4-dihydropyridin-4-yl)-3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1-phenylpropan-1-ol?
The canonical SMILES for 3-[4-(3,4-dihydropyridin-4-yl)-3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1-phenylpropan-1-ol is OC(CCc1[nH]nc(-c2ccc(F)cc2)c1C1C=CN=CC1)c1ccccc1.
What is the InChIKey of 3-[4-(3,4-dihydropyridin-4-yl)-3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1-phenylpropan-1-ol?
The InChIKey is APDYWYOLSFFSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O/c24-19-8-6-18(7-9-19)23-22(17-12-14-25-15-13-17)20(26-27-23)10-11-21(28)16-4-2-1-3-5-16/h1-9,12,14-15,17,21,28H,10-11,13H2,(H,26,27).
What are the key properties of 3-[4-(3,4-dihydropyridin-4-yl)-3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1-phenylpropan-1-ol?
3-[4-(3,4-dihydropyridin-4-yl)-3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1-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 3-[4-(3,4-dihydropyridin-4-yl)-3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1-phenylpropan-1-ol is sourced from PubChem (CID 71021990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).