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

C9H17N3O — CID 60973145

IUPACN-(2-ethoxyethyl)-1-(1H-pyrazol-5-yl)ethanamine
SMILESCCOCCNC(C)c1ccn[nH]1
InChIInChI=1S/C9H17N3O/c1-3-13-7-6-10-8(2)9-4-5-11-12-9/h4-5,8,10H,3,6-7H2,1-2H3,(H,11,12)
InChIKeyMBIDUAFNXWESPS-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.10
Rot. Bonds6

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

N-(2-ethoxyethyl)-1-(1H-pyrazol-5-yl)ethanamine (PubChem CID 60973145) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-1-(1H-pyrazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-1-(1H-pyrazol-5-yl)ethanamine
PubChem CID60973145
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC NameN-(2-ethoxyethyl)-1-(1H-pyrazol-5-yl)ethanamine
SMILESCCOCCNC(C)c1ccn[nH]1
InChIInChI=1S/C9H17N3O/c1-3-13-7-6-10-8(2)9-4-5-11-12-9/h4-5,8,10H,3,6-7H2,1-2H3,(H,11,12)
InChIKeyMBIDUAFNXWESPS-UHFFFAOYSA-N
XLogP1.10
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(cyclopropylmethoxy)-N-[1-(1H-pyrazol-5-yl)ethyl]propan-1-amine
CID 60972295
3-phenoxy-N-[1-(1H-pyrazol-5-yl)ethyl]propan-1-amine
CID 62380024
1-methoxy-4-[1-(1H-pyrazol-5-yl)ethylamino]butan-2-ol
CID 106244935
N,N-diethyl-3-[1-(1H-pyrazol-5-yl)ethylamino]propanamide
CID 54881769
4,4,4-trifluoro-N-[1-(1H-pyrazol-5-yl)ethyl]butan-1-amine
CID 115516187
(1S)-N-benzyl-1-(1H-pyrazol-5-yl)ethanamine
CID 93389562
N-propyl-2-[1-(1H-pyrazol-5-yl)ethylamino]acetamide
CID 60973020
N-[2-(1-methylpyrazol-3-yl)ethyl]-1-(1H-pyrazol-5-yl)ethanamine
CID 106104199
N-[2-(1-methylimidazol-2-yl)ethyl]-1-(1H-pyrazol-5-yl)ethanamine
CID 61212039
4-[2-[1-(1H-pyrazol-5-yl)ethylamino]ethyl]phenol
CID 61237634
2-methyl-5-[1-(1H-pyrazol-5-yl)ethylamino]pentan-1-ol
CID 106157473
ethyl 2-[1-(1H-pyrazol-5-yl)ethylamino]propanoate
CID 61498518

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-1-(1H-pyrazol-5-yl)ethanamine?
The IUPAC name of N-(2-ethoxyethyl)-1-(1H-pyrazol-5-yl)ethanamine (CID 60973145) is N-(2-ethoxyethyl)-1-(1H-pyrazol-5-yl)ethanamine.
What is the SMILES notation for N-(2-ethoxyethyl)-1-(1H-pyrazol-5-yl)ethanamine?
The canonical SMILES for N-(2-ethoxyethyl)-1-(1H-pyrazol-5-yl)ethanamine is CCOCCNC(C)c1ccn[nH]1.
What is the InChIKey of N-(2-ethoxyethyl)-1-(1H-pyrazol-5-yl)ethanamine?
The InChIKey is MBIDUAFNXWESPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-3-13-7-6-10-8(2)9-4-5-11-12-9/h4-5,8,10H,3,6-7H2,1-2H3,(H,11,12).
What are the key properties of N-(2-ethoxyethyl)-1-(1H-pyrazol-5-yl)ethanamine?
N-(2-ethoxyethyl)-1-(1H-pyrazol-5-yl)ethanamine has a molecular weight of 183.25 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-1-(1H-pyrazol-5-yl)ethanamine is sourced from PubChem (CID 60973145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).