1-[(1-ethenylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)pyrrolidin-3-ol

C16H18FN3O — CID 154754896

IUPAC1-[(1-ethenylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)pyrrolidin-3-ol
SMILESC=Cn1cc(CN2CCC(O)(c3ccc(F)cc3)C2)cn1
InChIInChI=1S/C16H18FN3O/c1-2-20-11-13(9-18-20)10-19-8-7-16(21,12-19)14-3-5-15(17)6-4-14/h2-6,9,11,21H,1,7-8,10,12H2
InChIKeyRIZJMNLNOFPAAX-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.22
Rot. Bonds4

About 1-[(1-ethenylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)pyrrolidin-3-ol

1-[(1-ethenylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)pyrrolidin-3-ol (PubChem CID 154754896) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is 1-[(1-ethenylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[(1-ethenylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)pyrrolidin-3-ol
PubChem CID154754896
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC Name1-[(1-ethenylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)pyrrolidin-3-ol
SMILESC=Cn1cc(CN2CCC(O)(c3ccc(F)cc3)C2)cn1
InChIInChI=1S/C16H18FN3O/c1-2-20-11-13(9-18-20)10-19-8-7-16(21,12-19)14-3-5-15(17)6-4-14/h2-6,9,11,21H,1,7-8,10,12H2
InChIKeyRIZJMNLNOFPAAX-UHFFFAOYSA-N
XLogP2.22
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-ethenyl-3-methylpyrazol-4-yl)methyl]-4-(4-fluorophenyl)azepan-4-ol
CID 110223515
1-benzyl-3-(4-fluorophenyl)piperidin-3-ol;hydrochloride
CID 139758416
1-benzyl-4-(4-fluorophenyl)piperidin-4-ol;hydrochloride
CID 71627119
1-[(2-ethylpyrimidin-5-yl)methyl]-4-(4-fluorophenyl)piperidin-4-ol;hydrochloride
CID 171667355
2-[(4-fluorophenyl)methyl]-7-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[3.4]octane;bis(2,2,2-trifluoroacetic acid)
CID 155842471
4-(4-fluorophenyl)-1-[[2-(4-fluorophenyl)-4-pyridinyl]methyl]piperidin-4-ol
CID 19863535
1-[(4-fluorophenyl)methyl]-3-methylpyrrolidin-3-ol
CID 103728801
(3S)-1-[(6-methoxy-3-pyridinyl)methyl]-3-phenylpyrrolidin-3-ol
CID 99926029
1-[(3-methylsulfanylphenyl)methyl]-3-phenylpyrrolidin-3-ol
CID 74241252
3-(4-fluorophenyl)-1-[(3-methylphenyl)methyl]azetidin-3-ol
CID 100620709
4-(4-fluorophenyl)-1-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]piperidin-4-ol;hydrochloride
CID 171700056
(9aS)-2-[(1-ethenylpyrazol-4-yl)methyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
CID 95149044

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethenylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)pyrrolidin-3-ol?
The IUPAC name of 1-[(1-ethenylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)pyrrolidin-3-ol (CID 154754896) is 1-[(1-ethenylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-[(1-ethenylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)pyrrolidin-3-ol?
The canonical SMILES for 1-[(1-ethenylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)pyrrolidin-3-ol is C=Cn1cc(CN2CCC(O)(c3ccc(F)cc3)C2)cn1.
What is the InChIKey of 1-[(1-ethenylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)pyrrolidin-3-ol?
The InChIKey is RIZJMNLNOFPAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-2-20-11-13(9-18-20)10-19-8-7-16(21,12-19)14-3-5-15(17)6-4-14/h2-6,9,11,21H,1,7-8,10,12H2.
What are the key properties of 1-[(1-ethenylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)pyrrolidin-3-ol?
1-[(1-ethenylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)pyrrolidin-3-ol has a molecular weight of 287.34 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethenylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)pyrrolidin-3-ol is sourced from PubChem (CID 154754896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).