1-[[4-amino-1-(2-hydroxypropyl)pyrazol-5-yl]amino]butan-2-ol

C10H20N4O2 — CID 59000070

IUPAC1-[[4-amino-1-(2-hydroxypropyl)pyrazol-5-yl]amino]butan-2-ol
SMILESCCC(O)CNc1c(N)cnn1CC(C)O
InChIInChI=1S/C10H20N4O2/c1-3-8(16)4-12-10-9(11)5-13-14(10)6-7(2)15/h5,7-8,12,15-16H,3-4,6,11H2,1-2H3
InChIKeyKSYRFEWOJRCJFF-UHFFFAOYSA-N
MW228.30 g/mol
LogP0.03
Rot. Bonds6

About 1-[[4-amino-1-(2-hydroxypropyl)pyrazol-5-yl]amino]butan-2-ol

1-[[4-amino-1-(2-hydroxypropyl)pyrazol-5-yl]amino]butan-2-ol (PubChem CID 59000070) has the molecular formula C10H20N4O2 and a molecular weight of 228.30 g/mol. Its IUPAC name is 1-[[4-amino-1-(2-hydroxypropyl)pyrazol-5-yl]amino]butan-2-ol.

Molecular Properties

Compound Name1-[[4-amino-1-(2-hydroxypropyl)pyrazol-5-yl]amino]butan-2-ol
PubChem CID59000070
Molecular FormulaC10H20N4O2
Molecular Weight228.30 g/mol
Exact Mass228.16
IUPAC Name1-[[4-amino-1-(2-hydroxypropyl)pyrazol-5-yl]amino]butan-2-ol
SMILESCCC(O)CNc1c(N)cnn1CC(C)O
InChIInChI=1S/C10H20N4O2/c1-3-8(16)4-12-10-9(11)5-13-14(10)6-7(2)15/h5,7-8,12,15-16H,3-4,6,11H2,1-2H3
InChIKeyKSYRFEWOJRCJFF-UHFFFAOYSA-N
XLogP0.03
TPSA96.33 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 50.03
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
3-[4-amino-5-(propan-2-ylamino)pyrazol-1-yl]propane-1,2-diol
CID 59000048
1-(4,5-diaminopyrazol-1-yl)pentane-2,3-diol
CID 58980398
(2R)-1-(4,5-dimethylpyrazol-1-yl)propan-2-ol
CID 129088824
1-(4,5-diaminopyrazol-1-yl)hexan-2-ol
CID 58980428
1-[2-(dimethylamino)ethyl]-5-N-ethylpyrazole-4,5-diamine
CID 58914028
2-[[4-amino-1-(2-hydroxyethyl)pyrazol-5-yl]amino]ethanol
CID 22918623
(2R)-1-(5-aminoindazol-1-yl)propan-2-ol
CID 125481302
2-[(2S)-2-hydroxypropyl]-4-methyl-1,2,4-triazol-3-one
CID 103935454
(2S)-1-[(5-iodopyrimidin-2-yl)amino]butan-2-ol
CID 130683912

Frequently Asked Questions

What is the IUPAC name of 1-[[4-amino-1-(2-hydroxypropyl)pyrazol-5-yl]amino]butan-2-ol?
The IUPAC name of 1-[[4-amino-1-(2-hydroxypropyl)pyrazol-5-yl]amino]butan-2-ol (CID 59000070) is 1-[[4-amino-1-(2-hydroxypropyl)pyrazol-5-yl]amino]butan-2-ol.
What is the SMILES notation for 1-[[4-amino-1-(2-hydroxypropyl)pyrazol-5-yl]amino]butan-2-ol?
The canonical SMILES for 1-[[4-amino-1-(2-hydroxypropyl)pyrazol-5-yl]amino]butan-2-ol is CCC(O)CNc1c(N)cnn1CC(C)O.
What is the InChIKey of 1-[[4-amino-1-(2-hydroxypropyl)pyrazol-5-yl]amino]butan-2-ol?
The InChIKey is KSYRFEWOJRCJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2/c1-3-8(16)4-12-10-9(11)5-13-14(10)6-7(2)15/h5,7-8,12,15-16H,3-4,6,11H2,1-2H3.
What are the key properties of 1-[[4-amino-1-(2-hydroxypropyl)pyrazol-5-yl]amino]butan-2-ol?
1-[[4-amino-1-(2-hydroxypropyl)pyrazol-5-yl]amino]butan-2-ol has a molecular weight of 228.30 g/mol, XLogP of 0.03, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-amino-1-(2-hydroxypropyl)pyrazol-5-yl]amino]butan-2-ol is sourced from PubChem (CID 59000070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).