N-[(2-ethylpyrazol-3-yl)methyl]-2-methoxyethanamine;hydrochloride

C9H18ClN3O — CID 126964497

IUPACN-[(2-ethylpyrazol-3-yl)methyl]-2-methoxyethanamine;hydrochloride
SMILESCCn1nccc1CNCCOC.Cl
InChIInChI=1S/C9H17N3O.ClH/c1-3-12-9(4-5-11-12)8-10-6-7-13-2;/h4-5,10H,3,6-8H2,1-2H3;1H
InChIKeySPTWCSNEDRUQEP-UHFFFAOYSA-N
MW219.72 g/mol
LogP1.06
Rot. Bonds6

About N-[(2-ethylpyrazol-3-yl)methyl]-2-methoxyethanamine;hydrochloride

N-[(2-ethylpyrazol-3-yl)methyl]-2-methoxyethanamine;hydrochloride (PubChem CID 126964497) has the molecular formula C9H18ClN3O and a molecular weight of 219.72 g/mol. Its IUPAC name is N-[(2-ethylpyrazol-3-yl)methyl]-2-methoxyethanamine;hydrochloride.

Molecular Properties

Compound NameN-[(2-ethylpyrazol-3-yl)methyl]-2-methoxyethanamine;hydrochloride
PubChem CID126964497
Molecular FormulaC9H18ClN3O
Molecular Weight219.72 g/mol
Exact Mass219.11
IUPAC NameN-[(2-ethylpyrazol-3-yl)methyl]-2-methoxyethanamine;hydrochloride
SMILESCCn1nccc1CNCCOC.Cl
InChIInChI=1S/C9H17N3O.ClH/c1-3-12-9(4-5-11-12)8-10-6-7-13-2;/h4-5,10H,3,6-8H2,1-2H3;1H
InChIKeySPTWCSNEDRUQEP-UHFFFAOYSA-N
XLogP1.06
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.72
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(2-ethylpyrazol-3-yl)methylamino]ethoxy]ethanol
CID 75525234
2-methoxy-N-[(2-pent-3-ynylpyrazol-3-yl)methyl]ethanamine
CID 104811769
5-methoxy-N-[(2-propylpyrazol-3-yl)methyl]pentan-1-amine
CID 114130077
2-methoxy-N-[[2-[(2-methyltetrazol-5-yl)methyl]pyrazol-3-yl]methyl]ethanamine
CID 107054683
1-(2-ethylpyrazol-3-yl)-N-[(2-propylpyrazol-3-yl)methyl]methanamine
CID 19625523
N-[(2-ethylpyrazol-3-yl)methyl]-5-methylsulfanylpentan-1-amine
CID 104923234
N-(2-methoxyethyl)-3-[(2-propylpyrazol-3-yl)methylamino]propanamide
CID 114556095
N-[(2-ethylpyrazol-3-yl)methyl]-5,5,5-trifluoropentan-1-amine
CID 113334932
1-cyclopropyl-N-[(2-ethylpyrazol-3-yl)methyl]methanamine
CID 115761680
N-[(2-ethylpyrazol-3-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine
CID 104626945
N-[(2-ethylpyrazol-3-yl)methyl]-3-piperidin-1-ylpropan-1-amine
CID 115761556
N-[(2-ethylpyrazol-3-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106396816

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-2-methoxyethanamine;hydrochloride?
The IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-2-methoxyethanamine;hydrochloride (CID 126964497) is N-[(2-ethylpyrazol-3-yl)methyl]-2-methoxyethanamine;hydrochloride.
What is the SMILES notation for N-[(2-ethylpyrazol-3-yl)methyl]-2-methoxyethanamine;hydrochloride?
The canonical SMILES for N-[(2-ethylpyrazol-3-yl)methyl]-2-methoxyethanamine;hydrochloride is CCn1nccc1CNCCOC.Cl.
What is the InChIKey of N-[(2-ethylpyrazol-3-yl)methyl]-2-methoxyethanamine;hydrochloride?
The InChIKey is SPTWCSNEDRUQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O.ClH/c1-3-12-9(4-5-11-12)8-10-6-7-13-2;/h4-5,10H,3,6-8H2,1-2H3;1H.
What are the key properties of N-[(2-ethylpyrazol-3-yl)methyl]-2-methoxyethanamine;hydrochloride?
N-[(2-ethylpyrazol-3-yl)methyl]-2-methoxyethanamine;hydrochloride has a molecular weight of 219.72 g/mol, XLogP of 1.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylpyrazol-3-yl)methyl]-2-methoxyethanamine;hydrochloride is sourced from PubChem (CID 126964497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).