1-(7-bicyclo[4.1.0]heptanyl)-1-(4-chloro-1-propylpyrazol-5-yl)-N-methylmethanamine

C15H24ClN3 — CID 105042506

IUPAC1-(7-bicyclo[4.1.0]heptanyl)-1-(4-chloro-1-propylpyrazol-5-yl)-N-methylmethanamine
SMILESCCCn1ncc(Cl)c1C(NC)C1C2CCCCC21
InChIInChI=1S/C15H24ClN3/c1-3-8-19-15(12(16)9-18-19)14(17-2)13-10-6-4-5-7-11(10)13/h9-11,13-14,17H,3-8H2,1-2H3
InChIKeyCAORXIFHMWBSIT-UHFFFAOYSA-N
MW281.83 g/mol
LogP3.64
Rot. Bonds5

About 1-(7-bicyclo[4.1.0]heptanyl)-1-(4-chloro-1-propylpyrazol-5-yl)-N-methylmethanamine

1-(7-bicyclo[4.1.0]heptanyl)-1-(4-chloro-1-propylpyrazol-5-yl)-N-methylmethanamine (PubChem CID 105042506) has the molecular formula C15H24ClN3 and a molecular weight of 281.83 g/mol. Its IUPAC name is 1-(7-bicyclo[4.1.0]heptanyl)-1-(4-chloro-1-propylpyrazol-5-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(7-bicyclo[4.1.0]heptanyl)-1-(4-chloro-1-propylpyrazol-5-yl)-N-methylmethanamine
PubChem CID105042506
Molecular FormulaC15H24ClN3
Molecular Weight281.83 g/mol
Exact Mass281.17
IUPAC Name1-(7-bicyclo[4.1.0]heptanyl)-1-(4-chloro-1-propylpyrazol-5-yl)-N-methylmethanamine
SMILESCCCn1ncc(Cl)c1C(NC)C1C2CCCCC21
InChIInChI=1S/C15H24ClN3/c1-3-8-19-15(12(16)9-18-19)14(17-2)13-10-6-4-5-7-11(10)13/h9-11,13-14,17H,3-8H2,1-2H3
InChIKeyCAORXIFHMWBSIT-UHFFFAOYSA-N
XLogP3.64
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(7-bicyclo[4.1.0]heptanyl)-1-(4-chloro-1-propylpyrazol-5-yl)-N-methylmethanamine with MolForge

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Related Compounds

N-[6-bicyclo[3.1.0]hexanyl-(4-chloro-1-propylpyrazol-5-yl)methyl]ethanamine
CID 105042723
2-[5-[6-bicyclo[3.1.0]hexanyl(methylamino)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
CID 105038986
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-(4-chloro-1-propylpyrazol-5-yl)-3-cyclopentyl-N-methylpropan-1-amine
CID 105042610
N-[6-bicyclo[3.1.0]hexanyl-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]ethanamine
CID 105054640
[(4-chloro-1-propylpyrazol-5-yl)-(thian-2-yl)methyl]hydrazine
CID 105255730
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
[(4-chloro-1-propylpyrazol-5-yl)-(1,1-dioxothian-2-yl)methyl]hydrazine
CID 105337213
1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-2-propylpentan-1-amine
CID 105042462
1-(4-chloro-1-propylpyrazol-5-yl)-N,2-dimethylbutan-1-amine
CID 114651693

Frequently Asked Questions

What is the IUPAC name of 1-(7-bicyclo[4.1.0]heptanyl)-1-(4-chloro-1-propylpyrazol-5-yl)-N-methylmethanamine?
The IUPAC name of 1-(7-bicyclo[4.1.0]heptanyl)-1-(4-chloro-1-propylpyrazol-5-yl)-N-methylmethanamine (CID 105042506) is 1-(7-bicyclo[4.1.0]heptanyl)-1-(4-chloro-1-propylpyrazol-5-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(7-bicyclo[4.1.0]heptanyl)-1-(4-chloro-1-propylpyrazol-5-yl)-N-methylmethanamine?
The canonical SMILES for 1-(7-bicyclo[4.1.0]heptanyl)-1-(4-chloro-1-propylpyrazol-5-yl)-N-methylmethanamine is CCCn1ncc(Cl)c1C(NC)C1C2CCCCC21.
What is the InChIKey of 1-(7-bicyclo[4.1.0]heptanyl)-1-(4-chloro-1-propylpyrazol-5-yl)-N-methylmethanamine?
The InChIKey is CAORXIFHMWBSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3/c1-3-8-19-15(12(16)9-18-19)14(17-2)13-10-6-4-5-7-11(10)13/h9-11,13-14,17H,3-8H2,1-2H3.
What are the key properties of 1-(7-bicyclo[4.1.0]heptanyl)-1-(4-chloro-1-propylpyrazol-5-yl)-N-methylmethanamine?
1-(7-bicyclo[4.1.0]heptanyl)-1-(4-chloro-1-propylpyrazol-5-yl)-N-methylmethanamine has a molecular weight of 281.83 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bicyclo[4.1.0]heptanyl)-1-(4-chloro-1-propylpyrazol-5-yl)-N-methylmethanamine is sourced from PubChem (CID 105042506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).