1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-1-(3-tricyclo[3.2.1.02,4]octanyl)methanamine

C14H20ClN3 — CID 114097399

IUPAC1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-1-(3-tricyclo[3.2.1.02,4]octanyl)methanamine
SMILESCNC(c1c(Cl)cnn1C)C1C2C3CCC(C3)C21
InChIInChI=1S/C14H20ClN3/c1-16-13(14-9(15)6-17-18(14)2)12-10-7-3-4-8(5-7)11(10)12/h6-8,10-13,16H,3-5H2,1-2H3
InChIKeyJHCICBMANUZCDD-UHFFFAOYSA-N
MW265.79 g/mol
LogP2.63
Rot. Bonds3

About 1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-1-(3-tricyclo[3.2.1.02,4]octanyl)methanamine

1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-1-(3-tricyclo[3.2.1.02,4]octanyl)methanamine (PubChem CID 114097399) has the molecular formula C14H20ClN3 and a molecular weight of 265.79 g/mol. Its IUPAC name is 1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-1-(3-tricyclo[3.2.1.02,4]octanyl)methanamine.

Molecular Properties

Compound Name1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-1-(3-tricyclo[3.2.1.02,4]octanyl)methanamine
PubChem CID114097399
Molecular FormulaC14H20ClN3
Molecular Weight265.79 g/mol
Exact Mass265.13
IUPAC Name1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-1-(3-tricyclo[3.2.1.02,4]octanyl)methanamine
SMILESCNC(c1c(Cl)cnn1C)C1C2C3CCC(C3)C21
InChIInChI=1S/C14H20ClN3/c1-16-13(14-9(15)6-17-18(14)2)12-10-7-3-4-8(5-7)11(10)12/h6-8,10-13,16H,3-5H2,1-2H3
InChIKeyJHCICBMANUZCDD-UHFFFAOYSA-N
XLogP2.63
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.79
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-1-(3-tricyclo[3.2.1.02,4]octanyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-bicyclo[2.2.1]heptanyl)-1-(4-chloro-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 114660339
1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-1-(oxan-2-yl)methanamine
CID 105046718
3-bicyclo[3.1.0]hexanyl-(4-chloro-1-methylpyrazol-5-yl)methanamine
CID 105046647
1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine
CID 106444901
2-bicyclo[2.2.1]heptanyl-(4-chloro-1-methylpyrazol-5-yl)methanamine
CID 114660323
N-[(4-chloro-1-methylpyrazol-5-yl)-cyclohexylmethyl]ethanamine
CID 114647881
1-(4-chloro-1-methylpyrazol-5-yl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine
CID 114655760
1-(7-bicyclo[4.1.0]heptanyl)-1-(4-chloro-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 105042506
1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine
CID 105046816
[1-(4-chloro-1-methylpyrazol-5-yl)-2-cyclopropyl-2-methoxyethyl]hydrazine
CID 105272836
1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-1-(5-methylpyrazin-2-yl)methanamine
CID 105185977
(4-chloro-1-methylpyrazol-5-yl)-(3-methylcyclopentyl)methanol
CID 114644064

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-1-(3-tricyclo[3.2.1.02,4]octanyl)methanamine?
The IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-1-(3-tricyclo[3.2.1.02,4]octanyl)methanamine (CID 114097399) is 1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-1-(3-tricyclo[3.2.1.02,4]octanyl)methanamine.
What is the SMILES notation for 1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-1-(3-tricyclo[3.2.1.02,4]octanyl)methanamine?
The canonical SMILES for 1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-1-(3-tricyclo[3.2.1.02,4]octanyl)methanamine is CNC(c1c(Cl)cnn1C)C1C2C3CCC(C3)C21.
What is the InChIKey of 1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-1-(3-tricyclo[3.2.1.02,4]octanyl)methanamine?
The InChIKey is JHCICBMANUZCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3/c1-16-13(14-9(15)6-17-18(14)2)12-10-7-3-4-8(5-7)11(10)12/h6-8,10-13,16H,3-5H2,1-2H3.
What are the key properties of 1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-1-(3-tricyclo[3.2.1.02,4]octanyl)methanamine?
1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-1-(3-tricyclo[3.2.1.02,4]octanyl)methanamine has a molecular weight of 265.79 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-1-(3-tricyclo[3.2.1.02,4]octanyl)methanamine is sourced from PubChem (CID 114097399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).