1-[4-[1-[(2,4,6-trifluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]pyrazol-1-yl]butan-2-ol

C19H22F3N3O — CID 50963212

IUPAC1-[4-[1-[(2,4,6-trifluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]pyrazol-1-yl]butan-2-ol
SMILESCCC(O)Cn1cc(C2=CCN(Cc3c(F)cc(F)cc3F)CC2)cn1
InChIInChI=1S/C19H22F3N3O/c1-2-16(26)11-25-10-14(9-23-25)13-3-5-24(6-4-13)12-17-18(21)7-15(20)8-19(17)22/h3,7-10,16,26H,2,4-6,11-12H2,1H3
InChIKeySCNHUAXGCHKEKK-UHFFFAOYSA-N
MW365.40 g/mol
LogP3.36
Rot. Bonds6

About 1-[4-[1-[(2,4,6-trifluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]pyrazol-1-yl]butan-2-ol

1-[4-[1-[(2,4,6-trifluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]pyrazol-1-yl]butan-2-ol (PubChem CID 50963212) has the molecular formula C19H22F3N3O and a molecular weight of 365.40 g/mol. Its IUPAC name is 1-[4-[1-[(2,4,6-trifluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]pyrazol-1-yl]butan-2-ol.

Molecular Properties

Compound Name1-[4-[1-[(2,4,6-trifluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]pyrazol-1-yl]butan-2-ol
PubChem CID50963212
Molecular FormulaC19H22F3N3O
Molecular Weight365.40 g/mol
Exact Mass365.17
IUPAC Name1-[4-[1-[(2,4,6-trifluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]pyrazol-1-yl]butan-2-ol
SMILESCCC(O)Cn1cc(C2=CCN(Cc3c(F)cc(F)cc3F)CC2)cn1
InChIInChI=1S/C19H22F3N3O/c1-2-16(26)11-25-10-14(9-23-25)13-3-5-24(6-4-13)12-17-18(21)7-15(20)8-19(17)22/h3,7-10,16,26H,2,4-6,11-12H2,1H3
InChIKeySCNHUAXGCHKEKK-UHFFFAOYSA-N
XLogP3.36
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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1-[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-N-methyl-N-(tetrahydro-2H-pyran-2-ylmethyl)methanamine
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1-[[3-(2-Fluorophenyl)-1-methyl-4-pyrazolyl]methyl]-3-propoxypiperidine
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US10617680, Example 6
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Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-[(2,4,6-trifluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]pyrazol-1-yl]butan-2-ol?
The IUPAC name of 1-[4-[1-[(2,4,6-trifluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]pyrazol-1-yl]butan-2-ol (CID 50963212) is 1-[4-[1-[(2,4,6-trifluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]pyrazol-1-yl]butan-2-ol.
What is the SMILES notation for 1-[4-[1-[(2,4,6-trifluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]pyrazol-1-yl]butan-2-ol?
The canonical SMILES for 1-[4-[1-[(2,4,6-trifluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]pyrazol-1-yl]butan-2-ol is CCC(O)Cn1cc(C2=CCN(Cc3c(F)cc(F)cc3F)CC2)cn1.
What is the InChIKey of 1-[4-[1-[(2,4,6-trifluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]pyrazol-1-yl]butan-2-ol?
The InChIKey is SCNHUAXGCHKEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3O/c1-2-16(26)11-25-10-14(9-23-25)13-3-5-24(6-4-13)12-17-18(21)7-15(20)8-19(17)22/h3,7-10,16,26H,2,4-6,11-12H2,1H3.
What are the key properties of 1-[4-[1-[(2,4,6-trifluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]pyrazol-1-yl]butan-2-ol?
1-[4-[1-[(2,4,6-trifluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]pyrazol-1-yl]butan-2-ol has a molecular weight of 365.40 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-[(2,4,6-trifluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]pyrazol-1-yl]butan-2-ol is sourced from PubChem (CID 50963212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).