3-[4-amino-5-(ethylamino)pyrazol-1-yl]-2-methylpropan-1-ol

C9H18N4O — CID 59000072

IUPAC3-[4-amino-5-(ethylamino)pyrazol-1-yl]-2-methylpropan-1-ol
SMILESCCNc1c(N)cnn1CC(C)CO
InChIInChI=1S/C9H18N4O/c1-3-11-9-8(10)4-12-13(9)5-7(2)6-14/h4,7,11,14H,3,5-6,10H2,1-2H3
InChIKeyONPSLUYZLUGYKA-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.53
Rot. Bonds5

About 3-[4-amino-5-(ethylamino)pyrazol-1-yl]-2-methylpropan-1-ol

3-[4-amino-5-(ethylamino)pyrazol-1-yl]-2-methylpropan-1-ol (PubChem CID 59000072) has the molecular formula C9H18N4O and a molecular weight of 198.27 g/mol. Its IUPAC name is 3-[4-amino-5-(ethylamino)pyrazol-1-yl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[4-amino-5-(ethylamino)pyrazol-1-yl]-2-methylpropan-1-ol
PubChem CID59000072
Molecular FormulaC9H18N4O
Molecular Weight198.27 g/mol
Exact Mass198.15
IUPAC Name3-[4-amino-5-(ethylamino)pyrazol-1-yl]-2-methylpropan-1-ol
SMILESCCNc1c(N)cnn1CC(C)CO
InChIInChI=1S/C9H18N4O/c1-3-11-9-8(10)4-12-13(9)5-7(2)6-14/h4,7,11,14H,3,5-6,10H2,1-2H3
InChIKeyONPSLUYZLUGYKA-UHFFFAOYSA-N
XLogP0.53
TPSA76.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[4-amino-1-(2-hydroxypropyl)pyrazol-5-yl]amino]butan-2-ol
CID 59000070
3-[4-amino-5-(propan-2-ylamino)pyrazol-1-yl]propane-1,2-diol
CID 59000048
4-[[4-amino-1-(2,3,4-trihydroxybutyl)pyrazol-5-yl]amino]butane-1,2,3-triol
CID 58999995
1-[2-(dimethylamino)ethyl]-5-N-ethylpyrazole-4,5-diamine
CID 58914028
1-[4-amino-5-(4-hydroxybutylamino)pyrazol-1-yl]butan-2-ol
CID 59000041
5-(2-aminoethylamino)-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one
CID 103221159
2-[[4-amino-1-(2-hydroxyethyl)pyrazol-5-yl]amino]ethanol
CID 22918623
1-(3-amino-2-methylpropyl)pyrazole-4,5-diamine
CID 22227389
5-methyl-1-(2-methyl-3-methylsulfonylpropyl)pyrazol-4-amine
CID 165481816
4-methyl-1-(2-methylbutyl)pyrazol-5-amine
CID 43312420
4-amino-1-ethyl-N-(2-hydroxyethyl)-N-propan-2-ylpyrazole-5-carboxamide
CID 65357049
4-amino-1-ethyl-N-(1-hydroxy-3-methylbutan-2-yl)pyrazole-5-carboxamide
CID 79248487

Frequently Asked Questions

What is the IUPAC name of 3-[4-amino-5-(ethylamino)pyrazol-1-yl]-2-methylpropan-1-ol?
The IUPAC name of 3-[4-amino-5-(ethylamino)pyrazol-1-yl]-2-methylpropan-1-ol (CID 59000072) is 3-[4-amino-5-(ethylamino)pyrazol-1-yl]-2-methylpropan-1-ol.
What is the SMILES notation for 3-[4-amino-5-(ethylamino)pyrazol-1-yl]-2-methylpropan-1-ol?
The canonical SMILES for 3-[4-amino-5-(ethylamino)pyrazol-1-yl]-2-methylpropan-1-ol is CCNc1c(N)cnn1CC(C)CO.
What is the InChIKey of 3-[4-amino-5-(ethylamino)pyrazol-1-yl]-2-methylpropan-1-ol?
The InChIKey is ONPSLUYZLUGYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O/c1-3-11-9-8(10)4-12-13(9)5-7(2)6-14/h4,7,11,14H,3,5-6,10H2,1-2H3.
What are the key properties of 3-[4-amino-5-(ethylamino)pyrazol-1-yl]-2-methylpropan-1-ol?
3-[4-amino-5-(ethylamino)pyrazol-1-yl]-2-methylpropan-1-ol has a molecular weight of 198.27 g/mol, XLogP of 0.53, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-amino-5-(ethylamino)pyrazol-1-yl]-2-methylpropan-1-ol is sourced from PubChem (CID 59000072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).