2-[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]-2-ethylpropane-1,3-diol

C12H24N4O2 — CID 107864540

IUPAC2-[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]-2-ethylpropane-1,3-diol
SMILESCCCc1nn(C)c(NC(CC)(CO)CO)c1N
InChIInChI=1S/C12H24N4O2/c1-4-6-9-10(13)11(16(3)15-9)14-12(5-2,7-17)8-18/h14,17-18H,4-8,13H2,1-3H3
InChIKeyHQSJNWMVXLWMNT-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.50
Rot. Bonds7

About 2-[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]-2-ethylpropane-1,3-diol

2-[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]-2-ethylpropane-1,3-diol (PubChem CID 107864540) has the molecular formula C12H24N4O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]-2-ethylpropane-1,3-diol.

Molecular Properties

Compound Name2-[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]-2-ethylpropane-1,3-diol
PubChem CID107864540
Molecular FormulaC12H24N4O2
Molecular Weight256.35 g/mol
Exact Mass256.19
IUPAC Name2-[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]-2-ethylpropane-1,3-diol
SMILESCCCc1nn(C)c(NC(CC)(CO)CO)c1N
InChIInChI=1S/C12H24N4O2/c1-4-6-9-10(13)11(16(3)15-9)14-12(5-2,7-17)8-18/h14,17-18H,4-8,13H2,1-3H3
InChIKeyHQSJNWMVXLWMNT-UHFFFAOYSA-N
XLogP0.50
TPSA96.33 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107845380
2-[[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]methyl]-2-ethylbutan-1-ol
CID 106251184
2-[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]-2-methylpropanamide
CID 66019658
3-[[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]methyl]pentan-3-ol
CID 66018131
5-N-cycloheptyl-1-methyl-3-propylpyrazole-4,5-diamine
CID 66017100
N-(4-amino-1-methyl-3-propylpyrazol-5-yl)formamide;hydrochloride
CID 174670115
1-methyl-3-propyl-5-N-(2,2,3,3-tetramethylcyclopropyl)pyrazole-4,5-diamine
CID 79353358
5-N-(2,2-difluoroethyl)-1-methyl-3-propylpyrazole-4,5-diamine
CID 115405451
3-[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]-N,2,2-trimethylpropanamide
CID 106275315
4-amino-1-methyl-3-propylpyrazole-5-carboxamide
CID 3338044
1-methyl-3-propyl-5-N-(5,5,5-trifluoropentyl)pyrazole-4,5-diamine
CID 115515604
2-[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]-N-methylpropanamide
CID 66017701

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]-2-ethylpropane-1,3-diol?
The IUPAC name of 2-[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]-2-ethylpropane-1,3-diol (CID 107864540) is 2-[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]-2-ethylpropane-1,3-diol.
What is the SMILES notation for 2-[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]-2-ethylpropane-1,3-diol?
The canonical SMILES for 2-[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]-2-ethylpropane-1,3-diol is CCCc1nn(C)c(NC(CC)(CO)CO)c1N.
What is the InChIKey of 2-[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]-2-ethylpropane-1,3-diol?
The InChIKey is HQSJNWMVXLWMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2/c1-4-6-9-10(13)11(16(3)15-9)14-12(5-2,7-17)8-18/h14,17-18H,4-8,13H2,1-3H3.
What are the key properties of 2-[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]-2-ethylpropane-1,3-diol?
2-[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]-2-ethylpropane-1,3-diol has a molecular weight of 256.35 g/mol, XLogP of 0.50, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]-2-ethylpropane-1,3-diol is sourced from PubChem (CID 107864540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).