5-chloro-N-[(1-methylpyrazol-4-yl)methyl]pentan-1-amine

C10H18ClN3 — CID 107319921

IUPAC5-chloro-N-[(1-methylpyrazol-4-yl)methyl]pentan-1-amine
SMILESCn1cc(CNCCCCCCl)cn1
InChIInChI=1S/C10H18ClN3/c1-14-9-10(8-13-14)7-12-6-4-2-3-5-11/h8-9,12H,2-7H2,1H3
InChIKeyLTGSTEBCIIHIFT-UHFFFAOYSA-N
MW215.73 g/mol
LogP1.92
Rot. Bonds7

About 5-chloro-N-[(1-methylpyrazol-4-yl)methyl]pentan-1-amine

5-chloro-N-[(1-methylpyrazol-4-yl)methyl]pentan-1-amine (PubChem CID 107319921) has the molecular formula C10H18ClN3 and a molecular weight of 215.73 g/mol. Its IUPAC name is 5-chloro-N-[(1-methylpyrazol-4-yl)methyl]pentan-1-amine.

Molecular Properties

Compound Name5-chloro-N-[(1-methylpyrazol-4-yl)methyl]pentan-1-amine
PubChem CID107319921
Molecular FormulaC10H18ClN3
Molecular Weight215.73 g/mol
Exact Mass215.12
IUPAC Name5-chloro-N-[(1-methylpyrazol-4-yl)methyl]pentan-1-amine
SMILESCn1cc(CNCCCCCCl)cn1
InChIInChI=1S/C10H18ClN3/c1-14-9-10(8-13-14)7-12-6-4-2-3-5-11/h8-9,12H,2-7H2,1H3
InChIKeyLTGSTEBCIIHIFT-UHFFFAOYSA-N
XLogP1.92
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.73
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(1-methylpyrazol-4-yl)methylamino]butan-1-ol;hydrochloride
CID 126966638
N-[(1-methylpyrazol-4-yl)methyl]hept-6-en-1-amine
CID 107006664
N',N'-diethyl-N-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 28600418
N'-hydroxy-5-[(1-methylpyrazol-4-yl)methylamino]pentanimidamide
CID 77030608
3-(2-methoxyethoxy)-N-[(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 28721823
3-cyclohexyloxy-N-[(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 28720311
2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]ethanamine;hydrochloride
CID 126966602
N'-hydroxy-4-[(1-methylpyrazol-4-yl)methylamino]butanimidamide
CID 77031221
(E)-3-chloro-N-[(1-methylpyrazol-4-yl)methyl]prop-2-en-1-amine
CID 107899772
N-[(1-methylpyrazol-4-yl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 28600272
N-[(1-methylpyrazol-4-yl)methyl]-2-phenylethanamine;hydrochloride
CID 126966836
6-bromo-N-[2-(1-methylpyrazol-4-yl)ethyl]hexan-1-amine
CID 107844230

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1-methylpyrazol-4-yl)methyl]pentan-1-amine?
The IUPAC name of 5-chloro-N-[(1-methylpyrazol-4-yl)methyl]pentan-1-amine (CID 107319921) is 5-chloro-N-[(1-methylpyrazol-4-yl)methyl]pentan-1-amine.
What is the SMILES notation for 5-chloro-N-[(1-methylpyrazol-4-yl)methyl]pentan-1-amine?
The canonical SMILES for 5-chloro-N-[(1-methylpyrazol-4-yl)methyl]pentan-1-amine is Cn1cc(CNCCCCCCl)cn1.
What is the InChIKey of 5-chloro-N-[(1-methylpyrazol-4-yl)methyl]pentan-1-amine?
The InChIKey is LTGSTEBCIIHIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClN3/c1-14-9-10(8-13-14)7-12-6-4-2-3-5-11/h8-9,12H,2-7H2,1H3.
What are the key properties of 5-chloro-N-[(1-methylpyrazol-4-yl)methyl]pentan-1-amine?
5-chloro-N-[(1-methylpyrazol-4-yl)methyl]pentan-1-amine has a molecular weight of 215.73 g/mol, XLogP of 1.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1-methylpyrazol-4-yl)methyl]pentan-1-amine is sourced from PubChem (CID 107319921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).