2-(4,5-diamino-3-methoxypyrazol-1-yl)ethanol

C6H12N4O2 — CID 66769968

IUPAC2-(4,5-diamino-3-methoxypyrazol-1-yl)ethanol
SMILESCOc1nn(CCO)c(N)c1N
InChIInChI=1S/C6H12N4O2/c1-12-6-4(7)5(8)10(9-6)2-3-11/h11H,2-3,7-8H2,1H3
InChIKeySGRCTXYUYLTZCV-UHFFFAOYSA-N
MW172.19 g/mol
LogP-0.95
Rot. Bonds3

About 2-(4,5-diamino-3-methoxypyrazol-1-yl)ethanol

2-(4,5-diamino-3-methoxypyrazol-1-yl)ethanol (PubChem CID 66769968) has the molecular formula C6H12N4O2 and a molecular weight of 172.19 g/mol. Its IUPAC name is 2-(4,5-diamino-3-methoxypyrazol-1-yl)ethanol.

Molecular Properties

Compound Name2-(4,5-diamino-3-methoxypyrazol-1-yl)ethanol
PubChem CID66769968
Molecular FormulaC6H12N4O2
Molecular Weight172.19 g/mol
Exact Mass172.10
IUPAC Name2-(4,5-diamino-3-methoxypyrazol-1-yl)ethanol
SMILESCOc1nn(CCO)c(N)c1N
InChIInChI=1S/C6H12N4O2/c1-12-6-4(7)5(8)10(9-6)2-3-11/h11H,2-3,7-8H2,1H3
InChIKeySGRCTXYUYLTZCV-UHFFFAOYSA-N
XLogP-0.95
TPSA99.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 5-0.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-(4,5-diamino-3-methoxypyrazol-1-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-diamino-3-methoxypyrazol-1-yl)ethanol?
The IUPAC name of 2-(4,5-diamino-3-methoxypyrazol-1-yl)ethanol (CID 66769968) is 2-(4,5-diamino-3-methoxypyrazol-1-yl)ethanol.
What is the SMILES notation for 2-(4,5-diamino-3-methoxypyrazol-1-yl)ethanol?
The canonical SMILES for 2-(4,5-diamino-3-methoxypyrazol-1-yl)ethanol is COc1nn(CCO)c(N)c1N.
What is the InChIKey of 2-(4,5-diamino-3-methoxypyrazol-1-yl)ethanol?
The InChIKey is SGRCTXYUYLTZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O2/c1-12-6-4(7)5(8)10(9-6)2-3-11/h11H,2-3,7-8H2,1H3.
What are the key properties of 2-(4,5-diamino-3-methoxypyrazol-1-yl)ethanol?
2-(4,5-diamino-3-methoxypyrazol-1-yl)ethanol has a molecular weight of 172.19 g/mol, XLogP of -0.95, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-diamino-3-methoxypyrazol-1-yl)ethanol is sourced from PubChem (CID 66769968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).