N-[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine

C15H26BrN3O — CID 105000367

IUPACN-[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1c(Br)c(C)nn1C)C1CCC(C)O1
InChIInChI=1S/C15H26BrN3O/c1-5-8-17-12(14-7-6-10(2)20-14)9-13-15(16)11(3)18-19(13)4/h10,12,14,17H,5-9H2,1-4H3
InChIKeyOLYXKIQDURRTSO-UHFFFAOYSA-N
MW344.30 g/mol
LogP2.97
Rot. Bonds6

About N-[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine

N-[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine (PubChem CID 105000367) has the molecular formula C15H26BrN3O and a molecular weight of 344.30 g/mol. Its IUPAC name is N-[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine
PubChem CID105000367
Molecular FormulaC15H26BrN3O
Molecular Weight344.30 g/mol
Exact Mass343.13
IUPAC NameN-[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1c(Br)c(C)nn1C)C1CCC(C)O1
InChIInChI=1S/C15H26BrN3O/c1-5-8-17-12(14-7-6-10(2)20-14)9-13-15(16)11(3)18-19(13)4/h10,12,14,17H,5-9H2,1-4H3
InChIKeyOLYXKIQDURRTSO-UHFFFAOYSA-N
XLogP2.97
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.30
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2-methyloxolan-3-yl)ethyl]propan-1-amine
CID 104998263
N-[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2-methylcyclopentyl)ethyl]propan-1-amine
CID 107189541
N-[1-(5-methyloxolan-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]propan-1-amine
CID 104999639
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine
CID 105000580
1-(5-methyloxolan-2-yl)-N-propylpropan-1-amine
CID 114979569
N-[2-(1,3-diethylpyrazol-5-yl)-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine
CID 105001653
N-[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(2-methylcyclopentyl)ethyl]propan-1-amine
CID 107189387
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-propyl-3-(thian-4-yl)propan-2-amine
CID 105160914
4-methyl-1-(5-methyloxolan-2-yl)-N-propylpentan-1-amine
CID 115834351
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(4-ethylmorpholin-2-yl)ethanamine
CID 79665894
N-[2-(4-iodophenyl)-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine
CID 115864188
N-[2-(1H-imidazol-2-yl)-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine
CID 81330027

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine (CID 105000367) is N-[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine is CCCNC(Cc1c(Br)c(C)nn1C)C1CCC(C)O1.
What is the InChIKey of N-[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine?
The InChIKey is OLYXKIQDURRTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26BrN3O/c1-5-8-17-12(14-7-6-10(2)20-14)9-13-15(16)11(3)18-19(13)4/h10,12,14,17H,5-9H2,1-4H3.
What are the key properties of N-[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine?
N-[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine has a molecular weight of 344.30 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 105000367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).