N-[(1-ethylpyrazol-3-yl)methyl]pentan-1-amine;hydrochloride

C11H22ClN3 — CID 126968027

IUPACN-[(1-ethylpyrazol-3-yl)methyl]pentan-1-amine;hydrochloride
SMILESCCCCCNCc1ccn(CC)n1.Cl
InChIInChI=1S/C11H21N3.ClH/c1-3-5-6-8-12-10-11-7-9-14(4-2)13-11;/h7,9,12H,3-6,8,10H2,1-2H3;1H
InChIKeyFRNUCTDFERQAKK-UHFFFAOYSA-N
MW231.77 g/mol
LogP2.60
Rot. Bonds7

About N-[(1-ethylpyrazol-3-yl)methyl]pentan-1-amine;hydrochloride

N-[(1-ethylpyrazol-3-yl)methyl]pentan-1-amine;hydrochloride (PubChem CID 126968027) has the molecular formula C11H22ClN3 and a molecular weight of 231.77 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-3-yl)methyl]pentan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-3-yl)methyl]pentan-1-amine;hydrochloride
PubChem CID126968027
Molecular FormulaC11H22ClN3
Molecular Weight231.77 g/mol
Exact Mass231.15
IUPAC NameN-[(1-ethylpyrazol-3-yl)methyl]pentan-1-amine;hydrochloride
SMILESCCCCCNCc1ccn(CC)n1.Cl
InChIInChI=1S/C11H21N3.ClH/c1-3-5-6-8-12-10-11-7-9-14(4-2)13-11;/h7,9,12H,3-6,8,10H2,1-2H3;1H
InChIKeyFRNUCTDFERQAKK-UHFFFAOYSA-N
XLogP2.60
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.77
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(difluoromethyl)pyrazol-3-yl]methyl]butan-1-amine
CID 122168967
N-[(1-ethylpyrazol-3-yl)methyl]-2-(4-methoxyphenyl)ethanamine
CID 19619321
N-[[1-(2,2-difluoroethyl)pyrazol-3-yl]methyl]propan-1-amine
CID 122168966
N-[(1-cyclohexylpyrazol-3-yl)methyl]hexan-1-amine
CID 64799565
1-(1-ethylpyrazol-3-yl)-N-[(2-ethylpyrazol-3-yl)methyl]methanamine;hydrochloride
CID 126965982
1-[3-[(1-ethylpyrazol-3-yl)methylamino]propyl]piperidin-3-ol
CID 131942823
N-[(1-ethylpyrazol-3-yl)methyl]-N'-(3-methyl-4-pyridinyl)ethane-1,2-diamine
CID 131951543
3-(1-ethylpyrazol-3-yl)-N-methylpropan-1-amine
CID 105433576
N-[(1-ethylpyrazol-4-yl)methyl]-1-(1-propylpyrazol-3-yl)methanamine;hydrochloride
CID 126966967
3-(butoxymethyl)-1-ethylpyrazole
CID 122170489
N-[(2,6-dimethoxyphenyl)methyl]-1-(1-ethylpyrazol-3-yl)methanamine
CID 19623033
2-methyl-N-[(1-propylpyrazol-3-yl)methyl]propan-1-amine;hydrochloride
CID 126968063

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-3-yl)methyl]pentan-1-amine;hydrochloride?
The IUPAC name of N-[(1-ethylpyrazol-3-yl)methyl]pentan-1-amine;hydrochloride (CID 126968027) is N-[(1-ethylpyrazol-3-yl)methyl]pentan-1-amine;hydrochloride.
What is the SMILES notation for N-[(1-ethylpyrazol-3-yl)methyl]pentan-1-amine;hydrochloride?
The canonical SMILES for N-[(1-ethylpyrazol-3-yl)methyl]pentan-1-amine;hydrochloride is CCCCCNCc1ccn(CC)n1.Cl.
What is the InChIKey of N-[(1-ethylpyrazol-3-yl)methyl]pentan-1-amine;hydrochloride?
The InChIKey is FRNUCTDFERQAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3.ClH/c1-3-5-6-8-12-10-11-7-9-14(4-2)13-11;/h7,9,12H,3-6,8,10H2,1-2H3;1H.
What are the key properties of N-[(1-ethylpyrazol-3-yl)methyl]pentan-1-amine;hydrochloride?
N-[(1-ethylpyrazol-3-yl)methyl]pentan-1-amine;hydrochloride has a molecular weight of 231.77 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-3-yl)methyl]pentan-1-amine;hydrochloride is sourced from PubChem (CID 126968027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).