N-(1H-pyrazol-4-ylmethyl)ethanamine

C6H11N3 — CID 61000735

IUPACN-(1H-pyrazol-4-ylmethyl)ethanamine
SMILESCCNCc1cn[nH]c1
InChIInChI=1S/C6H11N3/c1-2-7-3-6-4-8-9-5-6/h4-5,7H,2-3H2,1H3,(H,8,9)
InChIKeyXGOVOLVALNKUIM-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.52
Rot. Bonds3

About N-(1H-pyrazol-4-ylmethyl)ethanamine

N-(1H-pyrazol-4-ylmethyl)ethanamine (PubChem CID 61000735) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is N-(1H-pyrazol-4-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-(1H-pyrazol-4-ylmethyl)ethanamine
PubChem CID61000735
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC NameN-(1H-pyrazol-4-ylmethyl)ethanamine
SMILESCCNCc1cn[nH]c1
InChIInChI=1S/C6H11N3/c1-2-7-3-6-4-8-9-5-6/h4-5,7H,2-3H2,1H3,(H,8,9)
InChIKeyXGOVOLVALNKUIM-UHFFFAOYSA-N
XLogP0.52
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-4-ylmethyl)ethanamine?
The IUPAC name of N-(1H-pyrazol-4-ylmethyl)ethanamine (CID 61000735) is N-(1H-pyrazol-4-ylmethyl)ethanamine.
What is the SMILES notation for N-(1H-pyrazol-4-ylmethyl)ethanamine?
The canonical SMILES for N-(1H-pyrazol-4-ylmethyl)ethanamine is CCNCc1cn[nH]c1.
What is the InChIKey of N-(1H-pyrazol-4-ylmethyl)ethanamine?
The InChIKey is XGOVOLVALNKUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c1-2-7-3-6-4-8-9-5-6/h4-5,7H,2-3H2,1H3,(H,8,9).
What are the key properties of N-(1H-pyrazol-4-ylmethyl)ethanamine?
N-(1H-pyrazol-4-ylmethyl)ethanamine has a molecular weight of 125.17 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazol-4-ylmethyl)ethanamine is sourced from PubChem (CID 61000735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).