N-ethyl-2-(1H-pyrazol-5-yl)ethanamine

C7H13N3 — CID 57167438

IUPACN-ethyl-2-(1H-pyrazol-5-yl)ethanamine
SMILESCCNCCc1ccn[nH]1
InChIInChI=1S/C7H13N3/c1-2-8-5-3-7-4-6-9-10-7/h4,6,8H,2-3,5H2,1H3,(H,9,10)
InChIKeyFQMZOLKFGDQKTC-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.56
Rot. Bonds4

About N-ethyl-2-(1H-pyrazol-5-yl)ethanamine

N-ethyl-2-(1H-pyrazol-5-yl)ethanamine (PubChem CID 57167438) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is N-ethyl-2-(1H-pyrazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(1H-pyrazol-5-yl)ethanamine
PubChem CID57167438
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC NameN-ethyl-2-(1H-pyrazol-5-yl)ethanamine
SMILESCCNCCc1ccn[nH]1
InChIInChI=1S/C7H13N3/c1-2-8-5-3-7-4-6-9-10-7/h4,6,8H,2-3,5H2,1H3,(H,9,10)
InChIKeyFQMZOLKFGDQKTC-UHFFFAOYSA-N
XLogP0.56
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(1H-pyrazol-5-yl)ethanamine?
The IUPAC name of N-ethyl-2-(1H-pyrazol-5-yl)ethanamine (CID 57167438) is N-ethyl-2-(1H-pyrazol-5-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-(1H-pyrazol-5-yl)ethanamine?
The canonical SMILES for N-ethyl-2-(1H-pyrazol-5-yl)ethanamine is CCNCCc1ccn[nH]1.
What is the InChIKey of N-ethyl-2-(1H-pyrazol-5-yl)ethanamine?
The InChIKey is FQMZOLKFGDQKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-2-8-5-3-7-4-6-9-10-7/h4,6,8H,2-3,5H2,1H3,(H,9,10).
What are the key properties of N-ethyl-2-(1H-pyrazol-5-yl)ethanamine?
N-ethyl-2-(1H-pyrazol-5-yl)ethanamine has a molecular weight of 139.20 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(1H-pyrazol-5-yl)ethanamine is sourced from PubChem (CID 57167438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).