N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine

C7H13N3 — CID 23005757

IUPACN-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
SMILESCCNCc1cn[nH]c1C
InChIInChI=1S/C7H13N3/c1-3-8-4-7-5-9-10-6(7)2/h5,8H,3-4H2,1-2H3,(H,9,10)
InChIKeyOXXAOGRIRWSAGR-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.83
Rot. Bonds3

About N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine

N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine (PubChem CID 23005757) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
PubChem CID23005757
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
SMILESCCNCc1cn[nH]c1C
InChIInChI=1S/C7H13N3/c1-3-8-4-7-5-9-10-6(7)2/h5,8H,3-4H2,1-2H3,(H,9,10)
InChIKeyOXXAOGRIRWSAGR-UHFFFAOYSA-N
XLogP0.83
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine (CID 23005757) is N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine is CCNCc1cn[nH]c1C.
What is the InChIKey of N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine?
The InChIKey is OXXAOGRIRWSAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-3-8-4-7-5-9-10-6(7)2/h5,8H,3-4H2,1-2H3,(H,9,10).
What are the key properties of N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine?
N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine has a molecular weight of 139.20 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 23005757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).