1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(2,3,5-trimethylpiperidin-1-yl)propan-2-ol

C16H30N4O — CID 114592211

IUPAC1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(2,3,5-trimethylpiperidin-1-yl)propan-2-ol
SMILESCc1nn(CC(O)CN2CC(C)CC(C)C2C)c(C)c1N
InChIInChI=1S/C16H30N4O/c1-10-6-11(2)13(4)19(7-10)8-15(21)9-20-14(5)16(17)12(3)18-20/h10-11,13,15,21H,6-9,17H2,1-5H3
InChIKeyBAKRBDBFOGFWNK-UHFFFAOYSA-N
MW294.44 g/mol
LogP1.81
Rot. Bonds4

About 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(2,3,5-trimethylpiperidin-1-yl)propan-2-ol

1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(2,3,5-trimethylpiperidin-1-yl)propan-2-ol (PubChem CID 114592211) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(2,3,5-trimethylpiperidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(2,3,5-trimethylpiperidin-1-yl)propan-2-ol
PubChem CID114592211
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC Name1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(2,3,5-trimethylpiperidin-1-yl)propan-2-ol
SMILESCc1nn(CC(O)CN2CC(C)CC(C)C2C)c(C)c1N
InChIInChI=1S/C16H30N4O/c1-10-6-11(2)13(4)19(7-10)8-15(21)9-20-14(5)16(17)12(3)18-20/h10-11,13,15,21H,6-9,17H2,1-5H3
InChIKeyBAKRBDBFOGFWNK-UHFFFAOYSA-N
XLogP1.81
TPSA67.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(2-ethyl-5-methylpyrrolidin-1-yl)propan-2-ol
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1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-2-ol
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1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(4-cyclopropylpiperazin-1-yl)propan-2-ol
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1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(1,3-dihydroisoindol-2-yl)propan-2-ol
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1-piperazin-1-yl-3-(2,3,5-trimethylpiperidin-1-yl)propan-2-ol
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1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(3-methoxypiperidin-1-yl)propan-2-ol
CID 102956428
1-[2-(2,3,5-trimethylpiperidin-1-yl)ethyl]pyrazol-4-amine
CID 114592227
3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-amine;hydrochloride
CID 51051927
ethyl 2-amino-3-(2,3,5-trimethylpiperidin-1-yl)propanoate
CID 114596345
1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[cyclopropyl(2-methoxyethyl)amino]propan-2-ol
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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(2,3,5-trimethylpiperidin-1-yl)propan-2-ol?
The IUPAC name of 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(2,3,5-trimethylpiperidin-1-yl)propan-2-ol (CID 114592211) is 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(2,3,5-trimethylpiperidin-1-yl)propan-2-ol.
What is the SMILES notation for 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(2,3,5-trimethylpiperidin-1-yl)propan-2-ol?
The canonical SMILES for 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(2,3,5-trimethylpiperidin-1-yl)propan-2-ol is Cc1nn(CC(O)CN2CC(C)CC(C)C2C)c(C)c1N.
What is the InChIKey of 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(2,3,5-trimethylpiperidin-1-yl)propan-2-ol?
The InChIKey is BAKRBDBFOGFWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-10-6-11(2)13(4)19(7-10)8-15(21)9-20-14(5)16(17)12(3)18-20/h10-11,13,15,21H,6-9,17H2,1-5H3.
What are the key properties of 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(2,3,5-trimethylpiperidin-1-yl)propan-2-ol?
1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(2,3,5-trimethylpiperidin-1-yl)propan-2-ol has a molecular weight of 294.44 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(2,3,5-trimethylpiperidin-1-yl)propan-2-ol is sourced from PubChem (CID 114592211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).