N-[(4-chloro-1-propylpyrazol-5-yl)-pyridazin-4-ylmethyl]ethanamine

C13H18ClN5 — CID 105184021

IUPACN-[(4-chloro-1-propylpyrazol-5-yl)-pyridazin-4-ylmethyl]ethanamine
SMILESCCCn1ncc(Cl)c1C(NCC)c1ccnnc1
InChIInChI=1S/C13H18ClN5/c1-3-7-19-13(11(14)9-18-19)12(15-4-2)10-5-6-16-17-8-10/h5-6,8-9,12,15H,3-4,7H2,1-2H3
InChIKeyYKUCSAZCMINLOW-UHFFFAOYSA-N
MW279.77 g/mol
LogP2.44
Rot. Bonds6

About N-[(4-chloro-1-propylpyrazol-5-yl)-pyridazin-4-ylmethyl]ethanamine

N-[(4-chloro-1-propylpyrazol-5-yl)-pyridazin-4-ylmethyl]ethanamine (PubChem CID 105184021) has the molecular formula C13H18ClN5 and a molecular weight of 279.77 g/mol. Its IUPAC name is N-[(4-chloro-1-propylpyrazol-5-yl)-pyridazin-4-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(4-chloro-1-propylpyrazol-5-yl)-pyridazin-4-ylmethyl]ethanamine
PubChem CID105184021
Molecular FormulaC13H18ClN5
Molecular Weight279.77 g/mol
Exact Mass279.13
IUPAC NameN-[(4-chloro-1-propylpyrazol-5-yl)-pyridazin-4-ylmethyl]ethanamine
SMILESCCCn1ncc(Cl)c1C(NCC)c1ccnnc1
InChIInChI=1S/C13H18ClN5/c1-3-7-19-13(11(14)9-18-19)12(15-4-2)10-5-6-16-17-8-10/h5-6,8-9,12,15H,3-4,7H2,1-2H3
InChIKeyYKUCSAZCMINLOW-UHFFFAOYSA-N
XLogP2.44
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4-chloro-1-propylpyrazol-5-yl)-pyridazin-4-ylmethyl]ethanamine 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

N-[(3-bromo-4-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]ethanamine
CID 105042548
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-methyl-1-pyridazin-4-ylmethanamine
CID 105190055
N-[(5-bromofuran-2-yl)-(4-chloro-1-propylpyrazol-5-yl)methyl]ethanamine
CID 105042736
N-[(4-chloro-1-propylpyrazol-5-yl)-(2-methylpyrimidin-4-yl)methyl]ethanamine
CID 114659668
N-[(4-chloro-1-propylpyrazol-5-yl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine
CID 106755877
N-[(5-bromothiophen-2-yl)-(4-chloro-1-propylpyrazol-5-yl)methyl]ethanamine
CID 114652684
N-[(4-chloro-1-propylpyrazol-5-yl)-(2-methylfuran-3-yl)methyl]ethanamine
CID 114660712
2-[4-chloro-5-[ethylamino(pyridin-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 114647189
N-[(4-chloro-1-propylpyrazol-5-yl)-(2,5-dibromothiophen-3-yl)methyl]ethanamine
CID 107969130
N-[(4-chloro-1-propylpyrazol-5-yl)-(2,5-dichlorothiophen-3-yl)methyl]ethanamine
CID 107969129
N-[(4-chloro-1-ethylpyrazol-5-yl)-(2-methyl-4-pyridinyl)methyl]ethanamine
CID 106755859
[(4-chloro-1-propylpyrazol-5-yl)-(4-propan-2-ylphenyl)methyl]hydrazine
CID 105194048

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-propylpyrazol-5-yl)-pyridazin-4-ylmethyl]ethanamine?
The IUPAC name of N-[(4-chloro-1-propylpyrazol-5-yl)-pyridazin-4-ylmethyl]ethanamine (CID 105184021) is N-[(4-chloro-1-propylpyrazol-5-yl)-pyridazin-4-ylmethyl]ethanamine.
What is the SMILES notation for N-[(4-chloro-1-propylpyrazol-5-yl)-pyridazin-4-ylmethyl]ethanamine?
The canonical SMILES for N-[(4-chloro-1-propylpyrazol-5-yl)-pyridazin-4-ylmethyl]ethanamine is CCCn1ncc(Cl)c1C(NCC)c1ccnnc1.
What is the InChIKey of N-[(4-chloro-1-propylpyrazol-5-yl)-pyridazin-4-ylmethyl]ethanamine?
The InChIKey is YKUCSAZCMINLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN5/c1-3-7-19-13(11(14)9-18-19)12(15-4-2)10-5-6-16-17-8-10/h5-6,8-9,12,15H,3-4,7H2,1-2H3.
What are the key properties of N-[(4-chloro-1-propylpyrazol-5-yl)-pyridazin-4-ylmethyl]ethanamine?
N-[(4-chloro-1-propylpyrazol-5-yl)-pyridazin-4-ylmethyl]ethanamine has a molecular weight of 279.77 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1-propylpyrazol-5-yl)-pyridazin-4-ylmethyl]ethanamine is sourced from PubChem (CID 105184021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).