1-(4-methylpiperidin-1-yl)-3-(5-pyridin-4-ylpyrazol-1-yl)propan-2-ol

C17H24N4O — CID 109411933

IUPAC1-(4-methylpiperidin-1-yl)-3-(5-pyridin-4-ylpyrazol-1-yl)propan-2-ol
SMILESCC1CCN(CC(O)Cn2nccc2-c2ccncc2)CC1
InChIInChI=1S/C17H24N4O/c1-14-5-10-20(11-6-14)12-16(22)13-21-17(4-9-19-21)15-2-7-18-8-3-15/h2-4,7-9,14,16,22H,5-6,10-13H2,1H3
InChIKeyCWLSTVJIWDGLLC-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.04
Rot. Bonds5

About 1-(4-methylpiperidin-1-yl)-3-(5-pyridin-4-ylpyrazol-1-yl)propan-2-ol

1-(4-methylpiperidin-1-yl)-3-(5-pyridin-4-ylpyrazol-1-yl)propan-2-ol (PubChem CID 109411933) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)-3-(5-pyridin-4-ylpyrazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)-3-(5-pyridin-4-ylpyrazol-1-yl)propan-2-ol
PubChem CID109411933
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name1-(4-methylpiperidin-1-yl)-3-(5-pyridin-4-ylpyrazol-1-yl)propan-2-ol
SMILESCC1CCN(CC(O)Cn2nccc2-c2ccncc2)CC1
InChIInChI=1S/C17H24N4O/c1-14-5-10-20(11-6-14)12-16(22)13-21-17(4-9-19-21)15-2-7-18-8-3-15/h2-4,7-9,14,16,22H,5-6,10-13H2,1H3
InChIKeyCWLSTVJIWDGLLC-UHFFFAOYSA-N
XLogP2.04
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-propan-2-ylphenoxy)-3-(5-pyridin-4-ylpyrazol-1-yl)propan-2-ol
CID 109411907
1-(3,5-dimethylphenyl)-2-(5-pyridin-4-ylpyrazol-1-yl)ethanol
CID 109411937
1-(4-bromo-5-propan-2-ylpyrazol-1-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 109412002
1-[5-(3-chloro-4-fluorophenyl)pyrazol-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 109411995
1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-(pyridin-4-ylmethyl)urea
CID 56785065
1-(4-chlorophenyl)-2-(5-pyridin-4-ylpyrazol-1-yl)ethanol
CID 109411946
3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-5-propyl-1,3,4-oxadiazol-2-one
CID 109412535
1-(4-methylpiperidin-1-yl)-3-(5-phenyltetrazol-2-yl)propan-2-ol
CID 56820200
1-[4-(hydroxymethyl)piperidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 111105900
(2S)-1-(4-methylpiperidin-1-yl)-3-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]propan-2-ol
CID 100842326
1-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 111106170
1-(2,3-dimethylindol-1-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 2896531

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-1-yl)-3-(5-pyridin-4-ylpyrazol-1-yl)propan-2-ol?
The IUPAC name of 1-(4-methylpiperidin-1-yl)-3-(5-pyridin-4-ylpyrazol-1-yl)propan-2-ol (CID 109411933) is 1-(4-methylpiperidin-1-yl)-3-(5-pyridin-4-ylpyrazol-1-yl)propan-2-ol.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)-3-(5-pyridin-4-ylpyrazol-1-yl)propan-2-ol?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)-3-(5-pyridin-4-ylpyrazol-1-yl)propan-2-ol is CC1CCN(CC(O)Cn2nccc2-c2ccncc2)CC1.
What is the InChIKey of 1-(4-methylpiperidin-1-yl)-3-(5-pyridin-4-ylpyrazol-1-yl)propan-2-ol?
The InChIKey is CWLSTVJIWDGLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-14-5-10-20(11-6-14)12-16(22)13-21-17(4-9-19-21)15-2-7-18-8-3-15/h2-4,7-9,14,16,22H,5-6,10-13H2,1H3.
What are the key properties of 1-(4-methylpiperidin-1-yl)-3-(5-pyridin-4-ylpyrazol-1-yl)propan-2-ol?
1-(4-methylpiperidin-1-yl)-3-(5-pyridin-4-ylpyrazol-1-yl)propan-2-ol has a molecular weight of 300.41 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-1-yl)-3-(5-pyridin-4-ylpyrazol-1-yl)propan-2-ol is sourced from PubChem (CID 109411933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).