1-(5-fluoro-3-pyridinyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol

C14H18FN3O — CID 105080417

IUPAC1-(5-fluoro-3-pyridinyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol
SMILESCc1nn(C)c(C)c1CCC(O)c1cncc(F)c1
InChIInChI=1S/C14H18FN3O/c1-9-13(10(2)18(3)17-9)4-5-14(19)11-6-12(15)8-16-7-11/h6-8,14,19H,4-5H2,1-3H3
InChIKeyQFKBMGDQMTWCLE-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.24
Rot. Bonds4

About 1-(5-fluoro-3-pyridinyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol

1-(5-fluoro-3-pyridinyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol (PubChem CID 105080417) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is 1-(5-fluoro-3-pyridinyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name1-(5-fluoro-3-pyridinyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol
PubChem CID105080417
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name1-(5-fluoro-3-pyridinyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol
SMILESCc1nn(C)c(C)c1CCC(O)c1cncc(F)c1
InChIInChI=1S/C14H18FN3O/c1-9-13(10(2)18(3)17-9)4-5-14(19)11-6-12(15)8-16-7-11/h6-8,14,19H,4-5H2,1-3H3
InChIKeyQFKBMGDQMTWCLE-UHFFFAOYSA-N
XLogP2.24
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(5-fluoro-3-pyridinyl)-3-(1,3,5-trimethylpyrazol-4-yl)propyl]hydrazine
CID 105288178
1-(5-methoxy-3-pyridinyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol
CID 105121224
1-(3-chloro-4-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol
CID 107562206
1-(3,5-difluorophenyl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 105142044
1-pyridin-3-yl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 105098522
4-chloro-1-(5-fluoro-3-pyridinyl)butan-1-ol
CID 66047072
1-(1,3,5-trimethylpyrazol-4-yl)heptane-3,4-diol
CID 83930169
[1-pyridin-3-yl-3-(1,3,5-trimethylpyrazol-4-yl)propyl]hydrazine
CID 105287115
1-(1-ethylpyrazol-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 105109199
1-(2,3-dihydrofuran-5-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol
CID 102653938
2-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pent-1-en-3-ol
CID 105110499
[1-(4-fluoro-3-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propyl]hydrazine
CID 105302658

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-3-pyridinyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol?
The IUPAC name of 1-(5-fluoro-3-pyridinyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol (CID 105080417) is 1-(5-fluoro-3-pyridinyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol.
What is the SMILES notation for 1-(5-fluoro-3-pyridinyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol?
The canonical SMILES for 1-(5-fluoro-3-pyridinyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol is Cc1nn(C)c(C)c1CCC(O)c1cncc(F)c1.
What is the InChIKey of 1-(5-fluoro-3-pyridinyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol?
The InChIKey is QFKBMGDQMTWCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-9-13(10(2)18(3)17-9)4-5-14(19)11-6-12(15)8-16-7-11/h6-8,14,19H,4-5H2,1-3H3.
What are the key properties of 1-(5-fluoro-3-pyridinyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol?
1-(5-fluoro-3-pyridinyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol has a molecular weight of 263.32 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-3-pyridinyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol is sourced from PubChem (CID 105080417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).