2-(4-chloro-5-methylpyrazol-1-yl)-1-cyclohexyl-N-ethylethanamine

C14H24ClN3 — CID 104747830

IUPAC2-(4-chloro-5-methylpyrazol-1-yl)-1-cyclohexyl-N-ethylethanamine
SMILESCCNC(Cn1ncc(Cl)c1C)C1CCCCC1
InChIInChI=1S/C14H24ClN3/c1-3-16-14(12-7-5-4-6-8-12)10-18-11(2)13(15)9-17-18/h9,12,14,16H,3-8,10H2,1-2H3
InChIKeyWAZDBSXONVUHHD-UHFFFAOYSA-N
MW269.82 g/mol
LogP3.40
Rot. Bonds5

About 2-(4-chloro-5-methylpyrazol-1-yl)-1-cyclohexyl-N-ethylethanamine

2-(4-chloro-5-methylpyrazol-1-yl)-1-cyclohexyl-N-ethylethanamine (PubChem CID 104747830) has the molecular formula C14H24ClN3 and a molecular weight of 269.82 g/mol. Its IUPAC name is 2-(4-chloro-5-methylpyrazol-1-yl)-1-cyclohexyl-N-ethylethanamine.

Molecular Properties

Compound Name2-(4-chloro-5-methylpyrazol-1-yl)-1-cyclohexyl-N-ethylethanamine
PubChem CID104747830
Molecular FormulaC14H24ClN3
Molecular Weight269.82 g/mol
Exact Mass269.17
IUPAC Name2-(4-chloro-5-methylpyrazol-1-yl)-1-cyclohexyl-N-ethylethanamine
SMILESCCNC(Cn1ncc(Cl)c1C)C1CCCCC1
InChIInChI=1S/C14H24ClN3/c1-3-16-14(12-7-5-4-6-8-12)10-18-11(2)13(15)9-17-18/h9,12,14,16H,3-8,10H2,1-2H3
InChIKeyWAZDBSXONVUHHD-UHFFFAOYSA-N
XLogP3.40
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-N-ethyl-2-(3,4,5-trimethylpyrazol-1-yl)ethanamine
CID 104747419
1-cyclohexyl-N-ethyl-2-(4-methylpyrazol-1-yl)ethanamine
CID 104747389
2-[2-cyclopropyl-2-(ethylamino)ethyl]-5-piperidin-1-ylpyridazin-3-one
CID 114394713
3-(4-chloro-1-ethylpyrazol-5-yl)-1-cyclopropyl-N-ethylpropan-1-amine
CID 114664344
N-[(4-chloro-1-methylpyrazol-5-yl)-cyclohexylmethyl]ethanamine
CID 114647881
3-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-cyclopropyl-N-ethylpropan-1-amine
CID 114664348
1-cycloheptyl-2-(2,6-dichlorophenyl)-N-ethylethanamine
CID 65398874
1-(4-chloro-1-propylpyrazol-5-yl)-1-cyclooctyl-N-methylmethanamine
CID 114658830
1-(4-chloro-1-propylpyrazol-5-yl)-1-cyclohexyl-N-methylmethanamine
CID 114647869
1-cyclohexyl-N-ethylpropan-1-amine
CID 60817829
N-(1-cyclopentyl-2-indazol-1-ylethyl)propan-1-amine
CID 104747505
1-cyclohexyl-N-ethyl-N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 104745255

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-5-methylpyrazol-1-yl)-1-cyclohexyl-N-ethylethanamine?
The IUPAC name of 2-(4-chloro-5-methylpyrazol-1-yl)-1-cyclohexyl-N-ethylethanamine (CID 104747830) is 2-(4-chloro-5-methylpyrazol-1-yl)-1-cyclohexyl-N-ethylethanamine.
What is the SMILES notation for 2-(4-chloro-5-methylpyrazol-1-yl)-1-cyclohexyl-N-ethylethanamine?
The canonical SMILES for 2-(4-chloro-5-methylpyrazol-1-yl)-1-cyclohexyl-N-ethylethanamine is CCNC(Cn1ncc(Cl)c1C)C1CCCCC1.
What is the InChIKey of 2-(4-chloro-5-methylpyrazol-1-yl)-1-cyclohexyl-N-ethylethanamine?
The InChIKey is WAZDBSXONVUHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN3/c1-3-16-14(12-7-5-4-6-8-12)10-18-11(2)13(15)9-17-18/h9,12,14,16H,3-8,10H2,1-2H3.
What are the key properties of 2-(4-chloro-5-methylpyrazol-1-yl)-1-cyclohexyl-N-ethylethanamine?
2-(4-chloro-5-methylpyrazol-1-yl)-1-cyclohexyl-N-ethylethanamine has a molecular weight of 269.82 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-5-methylpyrazol-1-yl)-1-cyclohexyl-N-ethylethanamine is sourced from PubChem (CID 104747830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).