1-(4-chloro-1-propylpyrazol-5-yl)-1-cyclooctyl-N-methylmethanamine

C16H28ClN3 — CID 114658830

IUPAC1-(4-chloro-1-propylpyrazol-5-yl)-1-cyclooctyl-N-methylmethanamine
SMILESCCCn1ncc(Cl)c1C(NC)C1CCCCCCC1
InChIInChI=1S/C16H28ClN3/c1-3-11-20-16(14(17)12-19-20)15(18-2)13-9-7-5-4-6-8-10-13/h12-13,15,18H,3-11H2,1-2H3
InChIKeyIYXMWFYRYSLVIJ-UHFFFAOYSA-N
MW297.87 g/mol
LogP4.57
Rot. Bonds5

About 1-(4-chloro-1-propylpyrazol-5-yl)-1-cyclooctyl-N-methylmethanamine

1-(4-chloro-1-propylpyrazol-5-yl)-1-cyclooctyl-N-methylmethanamine (PubChem CID 114658830) has the molecular formula C16H28ClN3 and a molecular weight of 297.87 g/mol. Its IUPAC name is 1-(4-chloro-1-propylpyrazol-5-yl)-1-cyclooctyl-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-chloro-1-propylpyrazol-5-yl)-1-cyclooctyl-N-methylmethanamine
PubChem CID114658830
Molecular FormulaC16H28ClN3
Molecular Weight297.87 g/mol
Exact Mass297.20
IUPAC Name1-(4-chloro-1-propylpyrazol-5-yl)-1-cyclooctyl-N-methylmethanamine
SMILESCCCn1ncc(Cl)c1C(NC)C1CCCCCCC1
InChIInChI=1S/C16H28ClN3/c1-3-11-20-16(14(17)12-19-20)15(18-2)13-9-7-5-4-6-8-10-13/h12-13,15,18H,3-11H2,1-2H3
InChIKeyIYXMWFYRYSLVIJ-UHFFFAOYSA-N
XLogP4.57
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.87
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-1-propylpyrazol-5-yl)-1-cyclohexyl-N-methylmethanamine
CID 114647869
1-(7-bicyclo[4.1.0]heptanyl)-1-(4-chloro-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 105042506
1-(4-chloro-1-propylpyrazol-5-yl)-2-cyclohexylethane-1,2-diol
CID 103459015
N-[(4-chloro-1-propylpyrazol-5-yl)-(4-methylcyclohexyl)methyl]propan-1-amine
CID 114649242
1-(4-chloro-1-propylpyrazol-5-yl)-3-cyclopentyl-N-methylpropan-1-amine
CID 105042610
N-[(4-chloro-1-propylpyrazol-5-yl)-(oxan-4-yl)methyl]propan-1-amine
CID 114654894
N-[6-bicyclo[3.1.0]hexanyl-(4-chloro-1-propylpyrazol-5-yl)methyl]ethanamine
CID 105042723
N-[(4-chloro-1-ethylpyrazol-5-yl)-cyclobutylmethyl]propan-1-amine
CID 114653224
[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-cyclopentylmethyl]hydrazine
CID 105204303
[(4-chloro-1-propylpyrazol-5-yl)-(thian-2-yl)methyl]hydrazine
CID 105255730
1-cyclopropyl-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 114647967
N-[(4-chloro-1-methylpyrazol-5-yl)-cyclohexylmethyl]ethanamine
CID 114647881

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-propylpyrazol-5-yl)-1-cyclooctyl-N-methylmethanamine?
The IUPAC name of 1-(4-chloro-1-propylpyrazol-5-yl)-1-cyclooctyl-N-methylmethanamine (CID 114658830) is 1-(4-chloro-1-propylpyrazol-5-yl)-1-cyclooctyl-N-methylmethanamine.
What is the SMILES notation for 1-(4-chloro-1-propylpyrazol-5-yl)-1-cyclooctyl-N-methylmethanamine?
The canonical SMILES for 1-(4-chloro-1-propylpyrazol-5-yl)-1-cyclooctyl-N-methylmethanamine is CCCn1ncc(Cl)c1C(NC)C1CCCCCCC1.
What is the InChIKey of 1-(4-chloro-1-propylpyrazol-5-yl)-1-cyclooctyl-N-methylmethanamine?
The InChIKey is IYXMWFYRYSLVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28ClN3/c1-3-11-20-16(14(17)12-19-20)15(18-2)13-9-7-5-4-6-8-10-13/h12-13,15,18H,3-11H2,1-2H3.
What are the key properties of 1-(4-chloro-1-propylpyrazol-5-yl)-1-cyclooctyl-N-methylmethanamine?
1-(4-chloro-1-propylpyrazol-5-yl)-1-cyclooctyl-N-methylmethanamine has a molecular weight of 297.87 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-propylpyrazol-5-yl)-1-cyclooctyl-N-methylmethanamine is sourced from PubChem (CID 114658830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).