N-methyl-2-(1H-pyrazol-4-yl)ethanamine

C6H11N3 — CID 3159693

IUPACN-methyl-2-(1H-pyrazol-4-yl)ethanamine
SMILESCNCCc1cn[nH]c1
InChIInChI=1S/C6H11N3/c1-7-3-2-6-4-8-9-5-6/h4-5,7H,2-3H2,1H3,(H,8,9)
InChIKeyXTWUIUOKJXWWOJ-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.17
Rot. Bonds3

About N-methyl-2-(1H-pyrazol-4-yl)ethanamine

N-methyl-2-(1H-pyrazol-4-yl)ethanamine (PubChem CID 3159693) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is N-methyl-2-(1H-pyrazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(1H-pyrazol-4-yl)ethanamine
PubChem CID3159693
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC NameN-methyl-2-(1H-pyrazol-4-yl)ethanamine
SMILESCNCCc1cn[nH]c1
InChIInChI=1S/C6H11N3/c1-7-3-2-6-4-8-9-5-6/h4-5,7H,2-3H2,1H3,(H,8,9)
InChIKeyXTWUIUOKJXWWOJ-UHFFFAOYSA-N
XLogP0.17
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 ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1H-pyrazol-4-yl)ethanamine?
The IUPAC name of N-methyl-2-(1H-pyrazol-4-yl)ethanamine (CID 3159693) is N-methyl-2-(1H-pyrazol-4-yl)ethanamine.
What is the SMILES notation for N-methyl-2-(1H-pyrazol-4-yl)ethanamine?
The canonical SMILES for N-methyl-2-(1H-pyrazol-4-yl)ethanamine is CNCCc1cn[nH]c1.
What is the InChIKey of N-methyl-2-(1H-pyrazol-4-yl)ethanamine?
The InChIKey is XTWUIUOKJXWWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c1-7-3-2-6-4-8-9-5-6/h4-5,7H,2-3H2,1H3,(H,8,9).
What are the key properties of N-methyl-2-(1H-pyrazol-4-yl)ethanamine?
N-methyl-2-(1H-pyrazol-4-yl)ethanamine has a molecular weight of 125.17 g/mol, XLogP of 0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1H-pyrazol-4-yl)ethanamine is sourced from PubChem (CID 3159693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).