1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-methyl-1-pyridazin-4-ylmethanamine

C12H16ClN5O — CID 105190055

IUPAC1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-methyl-1-pyridazin-4-ylmethanamine
SMILESCNC(c1ccnnc1)c1c(Cl)cnn1CCOC
InChIInChI=1S/C12H16ClN5O/c1-14-11(9-3-4-15-16-7-9)12-10(13)8-17-18(12)5-6-19-2/h3-4,7-8,11,14H,5-6H2,1-2H3
InChIKeyYPGXUOSRRRAGSR-UHFFFAOYSA-N
MW281.75 g/mol
LogP1.28
Rot. Bonds6

About 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-methyl-1-pyridazin-4-ylmethanamine

1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-methyl-1-pyridazin-4-ylmethanamine (PubChem CID 105190055) has the molecular formula C12H16ClN5O and a molecular weight of 281.75 g/mol. Its IUPAC name is 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-methyl-1-pyridazin-4-ylmethanamine.

Molecular Properties

Compound Name1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-methyl-1-pyridazin-4-ylmethanamine
PubChem CID105190055
Molecular FormulaC12H16ClN5O
Molecular Weight281.75 g/mol
Exact Mass281.10
IUPAC Name1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-methyl-1-pyridazin-4-ylmethanamine
SMILESCNC(c1ccnnc1)c1c(Cl)cnn1CCOC
InChIInChI=1S/C12H16ClN5O/c1-14-11(9-3-4-15-16-7-9)12-10(13)8-17-18(12)5-6-19-2/h3-4,7-8,11,14H,5-6H2,1-2H3
InChIKeyYPGXUOSRRRAGSR-UHFFFAOYSA-N
XLogP1.28
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.75
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(2-methoxyethyl)pyrazol-3-yl]-N-methyl-1-pyridazin-4-ylmethanamine
CID 114277909
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(3-chloro-2-pyridinyl)-N-methylmethanamine
CID 103444104
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2,3-dichlorophenyl)-N-methylmethanamine
CID 105054587
N-[(4-chloro-1-propylpyrazol-5-yl)-pyridazin-4-ylmethyl]ethanamine
CID 105184021
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2,5-dimethylphenyl)-N-methylmethanamine
CID 105054590
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(3,5-dichloro-2-pyridinyl)-N-methylmethanamine
CID 114657954
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
CID 105054570
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine
CID 107969315
1-(2-bromo-5-fluorophenyl)-1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-methylmethanamine
CID 105054492
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-(4-bromophenyl)-N-methylmethanamine
CID 114646225
[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-chloro-3-methylphenyl)methyl]hydrazine
CID 105342343
N-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(furan-3-yl)methyl]ethanamine
CID 114652418

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-methyl-1-pyridazin-4-ylmethanamine?
The IUPAC name of 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-methyl-1-pyridazin-4-ylmethanamine (CID 105190055) is 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-methyl-1-pyridazin-4-ylmethanamine.
What is the SMILES notation for 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-methyl-1-pyridazin-4-ylmethanamine?
The canonical SMILES for 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-methyl-1-pyridazin-4-ylmethanamine is CNC(c1ccnnc1)c1c(Cl)cnn1CCOC.
What is the InChIKey of 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-methyl-1-pyridazin-4-ylmethanamine?
The InChIKey is YPGXUOSRRRAGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN5O/c1-14-11(9-3-4-15-16-7-9)12-10(13)8-17-18(12)5-6-19-2/h3-4,7-8,11,14H,5-6H2,1-2H3.
What are the key properties of 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-methyl-1-pyridazin-4-ylmethanamine?
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-methyl-1-pyridazin-4-ylmethanamine has a molecular weight of 281.75 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-methyl-1-pyridazin-4-ylmethanamine is sourced from PubChem (CID 105190055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).