ethane;2-[4-(methylamino)pyrazol-1-yl]ethanol

C8H17N3O — CID 171834591

IUPACethane;2-[4-(methylamino)pyrazol-1-yl]ethanol
SMILESCC.CNc1cnn(CCO)c1
InChIInChI=1S/C6H11N3O.C2H6/c1-7-6-4-8-9(5-6)2-3-10;1-2/h4-5,7,10H,2-3H2,1H3;1-2H3
InChIKeyNCDKCWQZCHYXGP-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.94
Rot. Bonds3

About ethane;2-[4-(methylamino)pyrazol-1-yl]ethanol

ethane;2-[4-(methylamino)pyrazol-1-yl]ethanol (PubChem CID 171834591) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is ethane;2-[4-(methylamino)pyrazol-1-yl]ethanol.

Molecular Properties

Compound Nameethane;2-[4-(methylamino)pyrazol-1-yl]ethanol
PubChem CID171834591
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Nameethane;2-[4-(methylamino)pyrazol-1-yl]ethanol
SMILESCC.CNc1cnn(CCO)c1
InChIInChI=1S/C6H11N3O.C2H6/c1-7-6-4-8-9(5-6)2-3-10;1-2/h4-5,7,10H,2-3H2,1H3;1-2H3
InChIKeyNCDKCWQZCHYXGP-UHFFFAOYSA-N
XLogP0.94
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethane;2-[4-(methylamino)pyrazol-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 ethane;2-[4-(methylamino)pyrazol-1-yl]ethanol?
The IUPAC name of ethane;2-[4-(methylamino)pyrazol-1-yl]ethanol (CID 171834591) is ethane;2-[4-(methylamino)pyrazol-1-yl]ethanol.
What is the SMILES notation for ethane;2-[4-(methylamino)pyrazol-1-yl]ethanol?
The canonical SMILES for ethane;2-[4-(methylamino)pyrazol-1-yl]ethanol is CC.CNc1cnn(CCO)c1.
What is the InChIKey of ethane;2-[4-(methylamino)pyrazol-1-yl]ethanol?
The InChIKey is NCDKCWQZCHYXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O.C2H6/c1-7-6-4-8-9(5-6)2-3-10;1-2/h4-5,7,10H,2-3H2,1H3;1-2H3.
What are the key properties of ethane;2-[4-(methylamino)pyrazol-1-yl]ethanol?
ethane;2-[4-(methylamino)pyrazol-1-yl]ethanol has a molecular weight of 171.24 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[4-(methylamino)pyrazol-1-yl]ethanol is sourced from PubChem (CID 171834591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).