2-(5-amino-3,4-dimethylpyrazol-1-yl)ethanol

C7H13N3O — CID 45121382

IUPAC2-(5-amino-3,4-dimethylpyrazol-1-yl)ethanol
SMILESCc1nn(CCO)c(N)c1C
InChIInChI=1S/C7H13N3O/c1-5-6(2)9-10(3-4-11)7(5)8/h11H,3-4,8H2,1-2H3
InChIKeyXLRSTZDSVLJJFE-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.07
Rot. Bonds2

About 2-(5-amino-3,4-dimethylpyrazol-1-yl)ethanol

2-(5-amino-3,4-dimethylpyrazol-1-yl)ethanol (PubChem CID 45121382) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 2-(5-amino-3,4-dimethylpyrazol-1-yl)ethanol.

Molecular Properties

Compound Name2-(5-amino-3,4-dimethylpyrazol-1-yl)ethanol
PubChem CID45121382
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name2-(5-amino-3,4-dimethylpyrazol-1-yl)ethanol
SMILESCc1nn(CCO)c(N)c1C
InChIInChI=1S/C7H13N3O/c1-5-6(2)9-10(3-4-11)7(5)8/h11H,3-4,8H2,1-2H3
InChIKeyXLRSTZDSVLJJFE-UHFFFAOYSA-N
XLogP0.07
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-Amino-3-methyl-1H-pyrazol-1-yl)ethan-1-ol
CID 5018373
5-Amino-1-(2-hydroxyethyl)-3-methyl-1H-pyrazole-4-carbonitrile
CID 219873
2,4,5-trimethyl-2,3-dihydro-1H-pyrazol-3-imine
CID 4737030
2-(5-amino-4-bromo-3-methyl-1H-pyrazol-1-yl)ethan-1-ol
CID 61733536
5-Amino-1-(2-hydroxyethyl)-3-methylpyrazole-4-carboxamide
CID 223698
1-Butyl-3-[2-(2-hydroxyethyl)-4,5-dimethylpyrazol-3-yl]urea
CID 71907571
2-Ethyl-4-methyl-5-(trifluoromethyl)pyrazol-3-amine
CID 118153032
3-[5-Amino-4-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-ol
CID 152009278
2-(5-amino-3-(trifluoromethyl)-1H-pyrazol-1-yl)ethan-1-ol
CID 43348866
2-[[4-(Aminomethyl)-1,3-dimethylpyrazol-5-yl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107478502
5-[2,2-Difluoroethyl(2-hydroxyethyl)amino]-1,3-dimethylpyrazole-4-carbothioamide
CID 107479845
5-[2-Hydroxyethyl(2,2,2-trifluoroethyl)amino]-1,3-dimethylpyrazole-4-carbothioamide
CID 107479879

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-3,4-dimethylpyrazol-1-yl)ethanol?
The IUPAC name of 2-(5-amino-3,4-dimethylpyrazol-1-yl)ethanol (CID 45121382) is 2-(5-amino-3,4-dimethylpyrazol-1-yl)ethanol.
What is the SMILES notation for 2-(5-amino-3,4-dimethylpyrazol-1-yl)ethanol?
The canonical SMILES for 2-(5-amino-3,4-dimethylpyrazol-1-yl)ethanol is Cc1nn(CCO)c(N)c1C.
What is the InChIKey of 2-(5-amino-3,4-dimethylpyrazol-1-yl)ethanol?
The InChIKey is XLRSTZDSVLJJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-5-6(2)9-10(3-4-11)7(5)8/h11H,3-4,8H2,1-2H3.
What are the key properties of 2-(5-amino-3,4-dimethylpyrazol-1-yl)ethanol?
2-(5-amino-3,4-dimethylpyrazol-1-yl)ethanol has a molecular weight of 155.20 g/mol, XLogP of 0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-3,4-dimethylpyrazol-1-yl)ethanol is sourced from PubChem (CID 45121382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).