2-[4-(aminomethyl)pyrazol-1-yl]ethanol

C6H11N3O — CID 24708562

IUPAC2-[4-(aminomethyl)pyrazol-1-yl]ethanol
SMILESNCc1cnn(CCO)c1
InChIInChI=1S/C6H11N3O/c7-3-6-4-8-9(5-6)1-2-10/h4-5,10H,1-3,7H2
InChIKeyOZGHNDLEHPCVJQ-UHFFFAOYSA-N
MW141.17 g/mol
LogP-0.67
Rot. Bonds3

About 2-[4-(aminomethyl)pyrazol-1-yl]ethanol

2-[4-(aminomethyl)pyrazol-1-yl]ethanol (PubChem CID 24708562) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is 2-[4-(aminomethyl)pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(aminomethyl)pyrazol-1-yl]ethanol
PubChem CID24708562
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name2-[4-(aminomethyl)pyrazol-1-yl]ethanol
SMILESNCc1cnn(CCO)c1
InChIInChI=1S/C6H11N3O/c7-3-6-4-8-9(5-6)1-2-10/h4-5,10H,1-3,7H2
InChIKeyOZGHNDLEHPCVJQ-UHFFFAOYSA-N
XLogP-0.67
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-(aminomethyl)pyrazol-1-yl]ethanol (CID 24708562) is 2-[4-(aminomethyl)pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-(aminomethyl)pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-(aminomethyl)pyrazol-1-yl]ethanol is NCc1cnn(CCO)c1.
What is the InChIKey of 2-[4-(aminomethyl)pyrazol-1-yl]ethanol?
The InChIKey is OZGHNDLEHPCVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c7-3-6-4-8-9(5-6)1-2-10/h4-5,10H,1-3,7H2.
What are the key properties of 2-[4-(aminomethyl)pyrazol-1-yl]ethanol?
2-[4-(aminomethyl)pyrazol-1-yl]ethanol has a molecular weight of 141.17 g/mol, XLogP of -0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)pyrazol-1-yl]ethanol is sourced from PubChem (CID 24708562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).