2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]propan-1-ol

C10H20N4O — CID 66029865

IUPAC2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]propan-1-ol
SMILESCc1nn(C(C)C)c(NC(C)CO)c1N
InChIInChI=1S/C10H20N4O/c1-6(2)14-10(12-7(3)5-15)9(11)8(4)13-14/h6-7,12,15H,5,11H2,1-4H3
InChIKeyXMYDUNYVUAQMJU-UHFFFAOYSA-N
MW212.30 g/mol
LogP1.15
Rot. Bonds4

About 2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]propan-1-ol

2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]propan-1-ol (PubChem CID 66029865) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is 2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]propan-1-ol.

Molecular Properties

Compound Name2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]propan-1-ol
PubChem CID66029865
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC Name2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]propan-1-ol
SMILESCc1nn(C(C)C)c(NC(C)CO)c1N
InChIInChI=1S/C10H20N4O/c1-6(2)14-10(12-7(3)5-15)9(11)8(4)13-14/h6-7,12,15H,5,11H2,1-4H3
InChIKeyXMYDUNYVUAQMJU-UHFFFAOYSA-N
XLogP1.15
TPSA76.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]-3-methylbutan-1-ol
CID 79248672
1-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]ethanol
CID 70039786
5-N-hexan-2-yl-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 66028933
1-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]propan-2-ol
CID 66029672
2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]-N-methylpropanamide
CID 66029301
3-methyl-5-N-(2-methylprop-2-enyl)-1-propan-2-ylpyrazole-4,5-diamine
CID 114615272
5-N-tert-butyl-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 66028498
5-N-[1-(dimethylamino)-4-methylpentan-2-yl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 66027569
2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)-methylamino]propan-1-ol
CID 104551173
ethyl 2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]acetate
CID 66028328
5-N-[2-[di(propan-2-yl)amino]ethyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 66029264
3-methyl-5-N-(2-methyl-3-methylsulfanylpropyl)-1-propan-2-ylpyrazole-4,5-diamine
CID 66023712

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]propan-1-ol?
The IUPAC name of 2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]propan-1-ol (CID 66029865) is 2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]propan-1-ol.
What is the SMILES notation for 2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]propan-1-ol?
The canonical SMILES for 2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]propan-1-ol is Cc1nn(C(C)C)c(NC(C)CO)c1N.
What is the InChIKey of 2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]propan-1-ol?
The InChIKey is XMYDUNYVUAQMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O/c1-6(2)14-10(12-7(3)5-15)9(11)8(4)13-14/h6-7,12,15H,5,11H2,1-4H3.
What are the key properties of 2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]propan-1-ol?
2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]propan-1-ol has a molecular weight of 212.30 g/mol, XLogP of 1.15, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]propan-1-ol is sourced from PubChem (CID 66029865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).