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

C14H21N5 — CID 105158604

IUPACN-[2-(2,5-dimethylpyrazol-3-yl)-1-pyridazin-4-ylethyl]propan-1-amine
SMILESCCCNC(Cc1cc(C)nn1C)c1ccnnc1
InChIInChI=1S/C14H21N5/c1-4-6-15-14(12-5-7-16-17-10-12)9-13-8-11(2)18-19(13)3/h5,7-8,10,14-15H,4,6,9H2,1-3H3
InChIKeyRQCGMBGOFFDEEO-UHFFFAOYSA-N
MW259.36 g/mol
LogP1.80
Rot. Bonds6

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

N-[2-(2,5-dimethylpyrazol-3-yl)-1-pyridazin-4-ylethyl]propan-1-amine (PubChem CID 105158604) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is N-[2-(2,5-dimethylpyrazol-3-yl)-1-pyridazin-4-ylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2,5-dimethylpyrazol-3-yl)-1-pyridazin-4-ylethyl]propan-1-amine
PubChem CID105158604
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC NameN-[2-(2,5-dimethylpyrazol-3-yl)-1-pyridazin-4-ylethyl]propan-1-amine
SMILESCCCNC(Cc1cc(C)nn1C)c1ccnnc1
InChIInChI=1S/C14H21N5/c1-4-6-15-14(12-5-7-16-17-10-12)9-13-8-11(2)18-19(13)3/h5,7-8,10,14-15H,4,6,9H2,1-3H3
InChIKeyRQCGMBGOFFDEEO-UHFFFAOYSA-N
XLogP1.80
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-ethyl-1-methylpyrazol-5-yl)-1-pyridazin-4-ylethyl]propan-1-amine
CID 105160172
N-[1-(3,4-dichlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethyl]propan-1-amine
CID 81494950
N-[1-(3,5-dichlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethyl]propan-1-amine
CID 104996379
N-[1-(3-chloro-5-methylphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethyl]propan-1-amine
CID 104996086
N-[2-(2,5-dimethylpyrazol-3-yl)-1-(5-methylfuran-2-yl)ethyl]propan-1-amine
CID 104996311
N-[2-(2,5-dimethylpyrazol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 105158598
N-[2-(2,5-dimethylpyrazol-3-yl)-1-(4-fluoro-2-methylphenyl)ethyl]propan-1-amine
CID 81270125
N-[1-(2-bromo-4-methylphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethyl]propan-1-amine
CID 104996088
N-[2-(3,4-dichlorophenyl)-1-pyridazin-4-ylethyl]propan-1-amine
CID 105136520
N-[1-(3-bromo-2-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethyl]propan-1-amine
CID 104996392
2-(2,5-dimethylpyrazol-3-yl)-1-(2,6-dimethyl-4-pyridinyl)-N-ethylethanamine
CID 107503912
N-[2-(1-ethylpyrazol-4-yl)-1-pyridazin-4-ylethyl]propan-1-amine
CID 105114689

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethylpyrazol-3-yl)-1-pyridazin-4-ylethyl]propan-1-amine?
The IUPAC name of N-[2-(2,5-dimethylpyrazol-3-yl)-1-pyridazin-4-ylethyl]propan-1-amine (CID 105158604) is N-[2-(2,5-dimethylpyrazol-3-yl)-1-pyridazin-4-ylethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2,5-dimethylpyrazol-3-yl)-1-pyridazin-4-ylethyl]propan-1-amine?
The canonical SMILES for N-[2-(2,5-dimethylpyrazol-3-yl)-1-pyridazin-4-ylethyl]propan-1-amine is CCCNC(Cc1cc(C)nn1C)c1ccnnc1.
What is the InChIKey of N-[2-(2,5-dimethylpyrazol-3-yl)-1-pyridazin-4-ylethyl]propan-1-amine?
The InChIKey is RQCGMBGOFFDEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-4-6-15-14(12-5-7-16-17-10-12)9-13-8-11(2)18-19(13)3/h5,7-8,10,14-15H,4,6,9H2,1-3H3.
What are the key properties of N-[2-(2,5-dimethylpyrazol-3-yl)-1-pyridazin-4-ylethyl]propan-1-amine?
N-[2-(2,5-dimethylpyrazol-3-yl)-1-pyridazin-4-ylethyl]propan-1-amine has a molecular weight of 259.36 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethylpyrazol-3-yl)-1-pyridazin-4-ylethyl]propan-1-amine is sourced from PubChem (CID 105158604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).