1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine

C14H22ClN3O2 — CID 114652496

IUPAC1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine
SMILESCNC(c1c(Cl)cnn1CCOC)C1CC2CCC1O2
InChIInChI=1S/C14H22ClN3O2/c1-16-13(10-7-9-3-4-12(10)20-9)14-11(15)8-17-18(14)5-6-19-2/h8-10,12-13,16H,3-7H2,1-2H3
InChIKeyUWYGITUOMKDIOH-UHFFFAOYSA-N
MW299.80 g/mol
LogP2.01
Rot. Bonds6

About 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine

1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine (PubChem CID 114652496) has the molecular formula C14H22ClN3O2 and a molecular weight of 299.80 g/mol. Its IUPAC name is 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine.

Molecular Properties

Compound Name1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine
PubChem CID114652496
Molecular FormulaC14H22ClN3O2
Molecular Weight299.80 g/mol
Exact Mass299.14
IUPAC Name1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine
SMILESCNC(c1c(Cl)cnn1CCOC)C1CC2CCC1O2
InChIInChI=1S/C14H22ClN3O2/c1-16-13(10-7-9-3-4-12(10)20-9)14-11(15)8-17-18(14)5-6-19-2/h8-10,12-13,16H,3-7H2,1-2H3
InChIKeyUWYGITUOMKDIOH-UHFFFAOYSA-N
XLogP2.01
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-chloro-5-[methylamino(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 114652491
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(4,4-dimethylcyclohexyl)-N-methylmethanamine
CID 114655310
[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(7-oxabicyclo[2.2.1]heptan-2-yl)methanol
CID 114643672
[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-cyclopentylmethyl]hydrazine
CID 105204303
N-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(5-methyloxolan-2-yl)methyl]propan-1-amine
CID 105054576
N-[6-bicyclo[3.1.0]hexanyl-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]ethanamine
CID 105054640
[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(oxan-2-yl)methyl]hydrazine
CID 105342345
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-cyclopropylethanol
CID 114644981
2-[4-chloro-5-[methylamino-(2-methylcyclopropyl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 114655901
[1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2,2-difluoroethyl]hydrazine
CID 105265036
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-methyl-1-pyridazin-4-ylmethanamine
CID 105190055
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethoxy-N,3,3-trimethylbutan-1-amine
CID 114661470

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine?
The IUPAC name of 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine (CID 114652496) is 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine.
What is the SMILES notation for 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine?
The canonical SMILES for 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine is CNC(c1c(Cl)cnn1CCOC)C1CC2CCC1O2.
What is the InChIKey of 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine?
The InChIKey is UWYGITUOMKDIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O2/c1-16-13(10-7-9-3-4-12(10)20-9)14-11(15)8-17-18(14)5-6-19-2/h8-10,12-13,16H,3-7H2,1-2H3.
What are the key properties of 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine?
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine has a molecular weight of 299.80 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine is sourced from PubChem (CID 114652496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).