N-[2-(3-ethyl-1-methylpyrazol-5-yl)-1-pyridazin-4-ylethyl]propan-1-amine

C15H23N5 — CID 105160172

IUPACN-[2-(3-ethyl-1-methylpyrazol-5-yl)-1-pyridazin-4-ylethyl]propan-1-amine
SMILESCCCNC(Cc1cc(CC)nn1C)c1ccnnc1
InChIInChI=1S/C15H23N5/c1-4-7-16-15(12-6-8-17-18-11-12)10-14-9-13(5-2)19-20(14)3/h6,8-9,11,15-16H,4-5,7,10H2,1-3H3
InChIKeyCTILVMBACJNIAB-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.06
Rot. Bonds7

About N-[2-(3-ethyl-1-methylpyrazol-5-yl)-1-pyridazin-4-ylethyl]propan-1-amine

N-[2-(3-ethyl-1-methylpyrazol-5-yl)-1-pyridazin-4-ylethyl]propan-1-amine (PubChem CID 105160172) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[2-(3-ethyl-1-methylpyrazol-5-yl)-1-pyridazin-4-ylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(3-ethyl-1-methylpyrazol-5-yl)-1-pyridazin-4-ylethyl]propan-1-amine
PubChem CID105160172
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC NameN-[2-(3-ethyl-1-methylpyrazol-5-yl)-1-pyridazin-4-ylethyl]propan-1-amine
SMILESCCCNC(Cc1cc(CC)nn1C)c1ccnnc1
InChIInChI=1S/C15H23N5/c1-4-7-16-15(12-6-8-17-18-11-12)10-14-9-13(5-2)19-20(14)3/h6,8-9,11,15-16H,4-5,7,10H2,1-3H3
InChIKeyCTILVMBACJNIAB-UHFFFAOYSA-N
XLogP2.06
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2,5-dimethylpyrazol-3-yl)-1-pyridazin-4-ylethyl]propan-1-amine
CID 105158604
N-[2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 105160170
2-(1,3-diethylpyrazol-5-yl)-N-methyl-1-pyridazin-4-ylethanamine
CID 105161684
N-ethyl-2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-methyl-4-pyridinyl)ethanamine
CID 106755498
N-[2-(3-ethyl-1-methylpyrazol-5-yl)-1-(thiadiazol-4-yl)ethyl]propan-1-amine
CID 105160117
N-ethyl-2-(3-ethyl-1-methylpyrazol-5-yl)-1-(6-methyl-3-pyridinyl)ethanamine
CID 105160183
N-[2-(3,4-dichlorophenyl)-1-pyridazin-4-ylethyl]propan-1-amine
CID 105136520
N-[1-(6-bicyclo[3.1.0]hexanyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethyl]propan-1-amine
CID 104999026
1-(3-ethyl-1-methylpyrazol-5-yl)-N,3-dipropylhexan-2-amine
CID 104999036
N-[2-(1-ethylpyrazol-4-yl)-1-pyridazin-4-ylethyl]propan-1-amine
CID 105114689
1-(3-ethyl-1-methylpyrazol-5-yl)-N-propylpent-4-en-2-amine
CID 116660904
N-[2-(3-ethyl-1-methylpyrazol-5-yl)-1-(1,4-oxathian-2-yl)ethyl]propan-1-amine
CID 79963875

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-ethyl-1-methylpyrazol-5-yl)-1-pyridazin-4-ylethyl]propan-1-amine?
The IUPAC name of N-[2-(3-ethyl-1-methylpyrazol-5-yl)-1-pyridazin-4-ylethyl]propan-1-amine (CID 105160172) is N-[2-(3-ethyl-1-methylpyrazol-5-yl)-1-pyridazin-4-ylethyl]propan-1-amine.
What is the SMILES notation for N-[2-(3-ethyl-1-methylpyrazol-5-yl)-1-pyridazin-4-ylethyl]propan-1-amine?
The canonical SMILES for N-[2-(3-ethyl-1-methylpyrazol-5-yl)-1-pyridazin-4-ylethyl]propan-1-amine is CCCNC(Cc1cc(CC)nn1C)c1ccnnc1.
What is the InChIKey of N-[2-(3-ethyl-1-methylpyrazol-5-yl)-1-pyridazin-4-ylethyl]propan-1-amine?
The InChIKey is CTILVMBACJNIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-4-7-16-15(12-6-8-17-18-11-12)10-14-9-13(5-2)19-20(14)3/h6,8-9,11,15-16H,4-5,7,10H2,1-3H3.
What are the key properties of N-[2-(3-ethyl-1-methylpyrazol-5-yl)-1-pyridazin-4-ylethyl]propan-1-amine?
N-[2-(3-ethyl-1-methylpyrazol-5-yl)-1-pyridazin-4-ylethyl]propan-1-amine has a molecular weight of 273.38 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-ethyl-1-methylpyrazol-5-yl)-1-pyridazin-4-ylethyl]propan-1-amine is sourced from PubChem (CID 105160172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).