3-[4-amino-5-(propan-2-ylamino)pyrazol-1-yl]propane-1,2-diol

C9H18N4O2 — CID 59000048

IUPAC3-[4-amino-5-(propan-2-ylamino)pyrazol-1-yl]propane-1,2-diol
SMILESCC(C)Nc1c(N)cnn1CC(O)CO
InChIInChI=1S/C9H18N4O2/c1-6(2)12-9-8(10)3-11-13(9)4-7(15)5-14/h3,6-7,12,14-15H,4-5,10H2,1-2H3
InChIKeyKNYFKHWOKCAPSQ-UHFFFAOYSA-N
MW214.27 g/mol
LogP-0.36
Rot. Bonds5

About 3-[4-amino-5-(propan-2-ylamino)pyrazol-1-yl]propane-1,2-diol

3-[4-amino-5-(propan-2-ylamino)pyrazol-1-yl]propane-1,2-diol (PubChem CID 59000048) has the molecular formula C9H18N4O2 and a molecular weight of 214.27 g/mol. Its IUPAC name is 3-[4-amino-5-(propan-2-ylamino)pyrazol-1-yl]propane-1,2-diol.

Molecular Properties

Compound Name3-[4-amino-5-(propan-2-ylamino)pyrazol-1-yl]propane-1,2-diol
PubChem CID59000048
Molecular FormulaC9H18N4O2
Molecular Weight214.27 g/mol
Exact Mass214.14
IUPAC Name3-[4-amino-5-(propan-2-ylamino)pyrazol-1-yl]propane-1,2-diol
SMILESCC(C)Nc1c(N)cnn1CC(O)CO
InChIInChI=1S/C9H18N4O2/c1-6(2)12-9-8(10)3-11-13(9)4-7(15)5-14/h3,6-7,12,14-15H,4-5,10H2,1-2H3
InChIKeyKNYFKHWOKCAPSQ-UHFFFAOYSA-N
XLogP-0.36
TPSA96.33 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 5-0.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-amino-5-(4-hydroxybutylamino)pyrazol-1-yl]butan-2-ol
CID 59000041
3-[4-amino-5-(ethylamino)pyrazol-1-yl]-2-methylpropan-1-ol
CID 59000072
4-[[4-amino-1-(2,3,4-trihydroxybutyl)pyrazol-5-yl]amino]butane-1,2,3-triol
CID 58999995
1-[[4-amino-1-(2-hydroxypropyl)pyrazol-5-yl]amino]butan-2-ol
CID 59000070
3-(5-aminopyrazol-1-yl)propane-1,2-diol
CID 54224935
1-(4,5-diaminopyrazol-1-yl)hexan-2-ol
CID 58980428
2-[[4-amino-1-(2-hydroxyethyl)pyrazol-5-yl]amino]ethanol
CID 22918623
1-(4,5-diaminopyrazol-1-yl)pentane-2,3-diol
CID 58980398
4-amino-1-ethyl-N-(2-hydroxyethyl)-N-propan-2-ylpyrazole-5-carboxamide
CID 65357049
2-[4-[2-[4-amino-5-(methylamino)pyrazol-1-yl]ethyl]piperazin-1-yl]ethanol
CID 58914000
2-[4-amino-5-(methylamino)pyrazol-1-yl]acetic acid
CID 58913994
3-[5-(hydroxymethyl)triazol-1-yl]propane-1,2-diol
CID 82210393

Frequently Asked Questions

What is the IUPAC name of 3-[4-amino-5-(propan-2-ylamino)pyrazol-1-yl]propane-1,2-diol?
The IUPAC name of 3-[4-amino-5-(propan-2-ylamino)pyrazol-1-yl]propane-1,2-diol (CID 59000048) is 3-[4-amino-5-(propan-2-ylamino)pyrazol-1-yl]propane-1,2-diol.
What is the SMILES notation for 3-[4-amino-5-(propan-2-ylamino)pyrazol-1-yl]propane-1,2-diol?
The canonical SMILES for 3-[4-amino-5-(propan-2-ylamino)pyrazol-1-yl]propane-1,2-diol is CC(C)Nc1c(N)cnn1CC(O)CO.
What is the InChIKey of 3-[4-amino-5-(propan-2-ylamino)pyrazol-1-yl]propane-1,2-diol?
The InChIKey is KNYFKHWOKCAPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O2/c1-6(2)12-9-8(10)3-11-13(9)4-7(15)5-14/h3,6-7,12,14-15H,4-5,10H2,1-2H3.
What are the key properties of 3-[4-amino-5-(propan-2-ylamino)pyrazol-1-yl]propane-1,2-diol?
3-[4-amino-5-(propan-2-ylamino)pyrazol-1-yl]propane-1,2-diol has a molecular weight of 214.27 g/mol, XLogP of -0.36, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-amino-5-(propan-2-ylamino)pyrazol-1-yl]propane-1,2-diol is sourced from PubChem (CID 59000048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).