1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol

C15H25N3O — CID 103008489

IUPAC1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol
SMILESCN1C2CCC1CC(C(O)CCc1cnn(C)c1)C2
InChIInChI=1S/C15H25N3O/c1-17-10-11(9-16-17)3-6-15(19)12-7-13-4-5-14(8-12)18(13)2/h9-10,12-15,19H,3-8H2,1-2H3
InChIKeyGJEJOILWUZHDKS-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.59
Rot. Bonds4

About 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol

1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol (PubChem CID 103008489) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol
PubChem CID103008489
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol
SMILESCN1C2CCC1CC(C(O)CCc1cnn(C)c1)C2
InChIInChI=1S/C15H25N3O/c1-17-10-11(9-16-17)3-6-15(19)12-7-13-4-5-14(8-12)18(13)2/h9-10,12-15,19H,3-8H2,1-2H3
InChIKeyGJEJOILWUZHDKS-UHFFFAOYSA-N
XLogP1.59
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103027909
1-cyclopropyl-4-(1-methylpyrazol-4-yl)butan-2-ol
CID 103008389
1-(2-methylcyclopropyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103008226
1-cycloheptyl-4-(1-methylpyrazol-4-yl)butan-2-ol
CID 103027790
1-(2-methylcyclopentyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 107193091
4-[1-fluoro-3-(1-methylpyrazol-4-yl)propyl]piperidine
CID 103023162
3-(1-methylpyrazol-4-yl)-1-piperidin-2-ylpropan-1-ol
CID 106634544
4-(3-bromo-3-cyclopropylpropyl)-1-methylpyrazole
CID 63358314
3-(1-methylpyrazol-4-yl)-1-(2-phenylcyclopropyl)propan-1-ol
CID 103027785
1-cyclopropyl-1-ethoxy-4-(1-methylpyrazol-4-yl)butan-2-ol
CID 103008567
1-cyclopropyl-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 63354994
2-hydroxy-4-(1-methylpyrazol-4-yl)butanal
CID 103006402

Frequently Asked Questions

What is the IUPAC name of 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol?
The IUPAC name of 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol (CID 103008489) is 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol.
What is the SMILES notation for 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol?
The canonical SMILES for 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol is CN1C2CCC1CC(C(O)CCc1cnn(C)c1)C2.
What is the InChIKey of 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol?
The InChIKey is GJEJOILWUZHDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-17-10-11(9-16-17)3-6-15(19)12-7-13-4-5-14(8-12)18(13)2/h9-10,12-15,19H,3-8H2,1-2H3.
What are the key properties of 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol?
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol has a molecular weight of 263.38 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol is sourced from PubChem (CID 103008489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).