2-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-(4-propan-2-ylpiperidin-1-yl)ethanol

C17H29N3O — CID 155469695

IUPAC2-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-(4-propan-2-ylpiperidin-1-yl)ethanol
SMILESCC(C)C1CCN(C(O)Cc2cc(C3CC3)nn2C)CC1
InChIInChI=1S/C17H29N3O/c1-12(2)13-6-8-20(9-7-13)17(21)11-15-10-16(14-4-5-14)18-19(15)3/h10,12-14,17,21H,4-9,11H2,1-3H3
InChIKeyMGYCEXCUGCOUBF-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.53
Rot. Bonds5

About 2-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-(4-propan-2-ylpiperidin-1-yl)ethanol

2-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-(4-propan-2-ylpiperidin-1-yl)ethanol (PubChem CID 155469695) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-(4-propan-2-ylpiperidin-1-yl)ethanol.

Molecular Properties

Compound Name2-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-(4-propan-2-ylpiperidin-1-yl)ethanol
PubChem CID155469695
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name2-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-(4-propan-2-ylpiperidin-1-yl)ethanol
SMILESCC(C)C1CCN(C(O)Cc2cc(C3CC3)nn2C)CC1
InChIInChI=1S/C17H29N3O/c1-12(2)13-6-8-20(9-7-13)17(21)11-15-10-16(14-4-5-14)18-19(15)3/h10,12-14,17,21H,4-9,11H2,1-3H3
InChIKeyMGYCEXCUGCOUBF-UHFFFAOYSA-N
XLogP2.53
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-(3-cyclopropyl-1-methylpyrazol-5-yl)propanoic acid
CID 83834482
3-cyclopropyl-1-methylpyrazole-5-carboxylic acid;hydrochloride
CID 133054193
3-cyclopropyl-1-(2,5-dimethylpyrazol-3-yl)butan-2-ol
CID 115811630
N-methyl-N-[[4-[1-methyl-5-(methylaminomethyl)pyrazol-3-yl]cyclohexyl]methyl]-2-propan-2-yloxyacetamide
CID 98129361
ethyl 5-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-methylpyrazole-3-carboxylate
CID 118617465
2-[(3-cyclopropyl-1-propan-2-ylpyrazol-5-yl)methylamino]ethanol;hydrochloride
CID 126966695
4-[2-(3-cyclopropyl-5-ethylpyrazol-1-yl)ethyl]morpholine
CID 71019550
N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N-methylethanesulfonamide
CID 98129330
1-(3-cyclopropylphenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol
CID 79979836
(2R)-N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N-methyl-2-phenylpropanamide
CID 125011836
N-[(3-cyclopropyl-1-propan-2-ylpyrazol-5-yl)methyl]propan-1-amine
CID 122166419
2-[(3-cyclopropyl-1-methylpyrazole-5-carbonyl)amino]propanoic acid
CID 155272214

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-(4-propan-2-ylpiperidin-1-yl)ethanol?
The IUPAC name of 2-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-(4-propan-2-ylpiperidin-1-yl)ethanol (CID 155469695) is 2-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-(4-propan-2-ylpiperidin-1-yl)ethanol.
What is the SMILES notation for 2-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-(4-propan-2-ylpiperidin-1-yl)ethanol?
The canonical SMILES for 2-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-(4-propan-2-ylpiperidin-1-yl)ethanol is CC(C)C1CCN(C(O)Cc2cc(C3CC3)nn2C)CC1.
What is the InChIKey of 2-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-(4-propan-2-ylpiperidin-1-yl)ethanol?
The InChIKey is MGYCEXCUGCOUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-12(2)13-6-8-20(9-7-13)17(21)11-15-10-16(14-4-5-14)18-19(15)3/h10,12-14,17,21H,4-9,11H2,1-3H3.
What are the key properties of 2-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-(4-propan-2-ylpiperidin-1-yl)ethanol?
2-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-(4-propan-2-ylpiperidin-1-yl)ethanol has a molecular weight of 291.44 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-(4-propan-2-ylpiperidin-1-yl)ethanol is sourced from PubChem (CID 155469695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).