1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]propan-2-ol

C14H26N4O3 — CID 102932187

IUPAC1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]propan-2-ol
SMILESCc1nn(CC(O)CN2CC(C)OC(CO)C2)c(C)c1N
InChIInChI=1S/C14H26N4O3/c1-9-4-17(7-13(8-19)21-9)5-12(20)6-18-11(3)14(15)10(2)16-18/h9,12-13,19-20H,4-8,15H2,1-3H3
InChIKeyQDVHHBZTXHYRCE-UHFFFAOYSA-N
MW298.39 g/mol
LogP-0.48
Rot. Bonds5

About 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]propan-2-ol

1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]propan-2-ol (PubChem CID 102932187) has the molecular formula C14H26N4O3 and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]propan-2-ol.

Molecular Properties

Compound Name1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]propan-2-ol
PubChem CID102932187
Molecular FormulaC14H26N4O3
Molecular Weight298.39 g/mol
Exact Mass298.20
IUPAC Name1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]propan-2-ol
SMILESCc1nn(CC(O)CN2CC(C)OC(CO)C2)c(C)c1N
InChIInChI=1S/C14H26N4O3/c1-9-4-17(7-13(8-19)21-9)5-12(20)6-18-11(3)14(15)10(2)16-18/h9,12-13,19-20H,4-8,15H2,1-3H3
InChIKeyQDVHHBZTXHYRCE-UHFFFAOYSA-N
XLogP-0.48
TPSA96.77 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-2-ol
CID 112624415
1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(azepan-1-yl)propan-2-ol
CID 63945445
1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(2,3,5-trimethylpiperidin-1-yl)propan-2-ol
CID 114592211
1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(4-cyclopropylpiperazin-1-yl)propan-2-ol
CID 63946859
1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(1,3-dihydroisoindol-2-yl)propan-2-ol
CID 63944869
1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(3-methoxypiperidin-1-yl)propan-2-ol
CID 102956428
1-(4-aminophenoxy)-3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]propan-2-ol
CID 102932193
1,3-bis(2,6-dimethylmorpholin-4-yl)propan-2-ol
CID 70522448
1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(2-ethyl-5-methylpyrrolidin-1-yl)propan-2-ol
CID 83228217
(2R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-(5-methyltetrazol-1-yl)propan-2-ol
CID 100730597
1-bromo-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol
CID 104959987
[4-(3-amino-2-methyl-3-phenylpropyl)-6-methylmorpholin-2-yl]methanol
CID 102936336

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]propan-2-ol?
The IUPAC name of 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]propan-2-ol (CID 102932187) is 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]propan-2-ol.
What is the SMILES notation for 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]propan-2-ol?
The canonical SMILES for 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]propan-2-ol is Cc1nn(CC(O)CN2CC(C)OC(CO)C2)c(C)c1N.
What is the InChIKey of 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]propan-2-ol?
The InChIKey is QDVHHBZTXHYRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O3/c1-9-4-17(7-13(8-19)21-9)5-12(20)6-18-11(3)14(15)10(2)16-18/h9,12-13,19-20H,4-8,15H2,1-3H3.
What are the key properties of 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]propan-2-ol?
1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]propan-2-ol has a molecular weight of 298.39 g/mol, XLogP of -0.48, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]propan-2-ol is sourced from PubChem (CID 102932187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).