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

C16H24N4O — CID 63944478

IUPAC1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(N,3-dimethylanilino)propan-2-ol
SMILESCc1cccc(N(C)CC(O)Cn2nc(C)c(N)c2C)c1
InChIInChI=1S/C16H24N4O/c1-11-6-5-7-14(8-11)19(4)9-15(21)10-20-13(3)16(17)12(2)18-20/h5-8,15,21H,9-10,17H2,1-4H3
InChIKeyUYQMPQXFBRGXOA-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.89
Rot. Bonds5

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

1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(N,3-dimethylanilino)propan-2-ol (PubChem CID 63944478) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(N,3-dimethylanilino)propan-2-ol.

Molecular Properties

Compound Name1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(N,3-dimethylanilino)propan-2-ol
PubChem CID63944478
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(N,3-dimethylanilino)propan-2-ol
SMILESCc1cccc(N(C)CC(O)Cn2nc(C)c(N)c2C)c1
InChIInChI=1S/C16H24N4O/c1-11-6-5-7-14(8-11)19(4)9-15(21)10-20-13(3)16(17)12(2)18-20/h5-8,15,21H,9-10,17H2,1-4H3
InChIKeyUYQMPQXFBRGXOA-UHFFFAOYSA-N
XLogP1.89
TPSA67.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[methyl(2-methylbutyl)amino]propan-2-ol
CID 63945448
1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[methyl(2-methylsulfanylethyl)amino]propan-2-ol
CID 112657387
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-ethyl-N-(3-methylphenyl)acetamide
CID 61075325
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-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propan-2-ol
CID 63947273
1-(N,3-dimethylanilino)-3-(2-methylpropoxy)propan-2-ol
CID 3680061
1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[3-hydroxypropyl(propan-2-yl)amino]propan-2-ol
CID 63945455
3-[[3-(4-amino-3,5-dimethylpyrazol-1-yl)-2-hydroxypropyl]-methylamino]-N-methylpropanamide
CID 106914616
1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(azepan-1-yl)propan-2-ol
CID 63945445
3-(N,3-dimethylanilino)-2-(ethylamino)propan-1-ol
CID 64789932
1-(N-ethyl-3-methylanilino)propan-1-ol
CID 21331015
methyl 2-[(N,3-dimethylanilino)methyl]butanoate
CID 115253087

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(N,3-dimethylanilino)propan-2-ol?
The IUPAC name of 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(N,3-dimethylanilino)propan-2-ol (CID 63944478) is 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(N,3-dimethylanilino)propan-2-ol.
What is the SMILES notation for 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(N,3-dimethylanilino)propan-2-ol?
The canonical SMILES for 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(N,3-dimethylanilino)propan-2-ol is Cc1cccc(N(C)CC(O)Cn2nc(C)c(N)c2C)c1.
What is the InChIKey of 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(N,3-dimethylanilino)propan-2-ol?
The InChIKey is UYQMPQXFBRGXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-11-6-5-7-14(8-11)19(4)9-15(21)10-20-13(3)16(17)12(2)18-20/h5-8,15,21H,9-10,17H2,1-4H3.
What are the key properties of 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(N,3-dimethylanilino)propan-2-ol?
1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(N,3-dimethylanilino)propan-2-ol has a molecular weight of 288.39 g/mol, XLogP of 1.89, 5 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-(N,3-dimethylanilino)propan-2-ol is sourced from PubChem (CID 63944478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).