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

C15H26ClN3O — CID 104996890

IUPACN-[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(5-methyloxolan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1c(Cl)c(C)nn1C)C1COC(C)C1
InChIInChI=1S/C15H26ClN3O/c1-5-6-17-13(12-7-10(2)20-9-12)8-14-15(16)11(3)18-19(14)4/h10,12-13,17H,5-9H2,1-4H3
InChIKeyTWURCHIUGDTDMC-UHFFFAOYSA-N
MW299.85 g/mol
LogP2.72
Rot. Bonds6

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

N-[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(5-methyloxolan-3-yl)ethyl]propan-1-amine (PubChem CID 104996890) has the molecular formula C15H26ClN3O and a molecular weight of 299.85 g/mol. Its IUPAC name is N-[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(5-methyloxolan-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(5-methyloxolan-3-yl)ethyl]propan-1-amine
PubChem CID104996890
Molecular FormulaC15H26ClN3O
Molecular Weight299.85 g/mol
Exact Mass299.18
IUPAC NameN-[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(5-methyloxolan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1c(Cl)c(C)nn1C)C1COC(C)C1
InChIInChI=1S/C15H26ClN3O/c1-5-6-17-13(12-7-10(2)20-9-12)8-14-15(16)11(3)18-19(14)4/h10,12-13,17H,5-9H2,1-4H3
InChIKeyTWURCHIUGDTDMC-UHFFFAOYSA-N
XLogP2.72
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.85
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-methyl-1-(5-methyloxolan-3-yl)ethanamine
CID 104996892
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine
CID 105000580
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-N-methyl-1-(5-methyloxolan-3-yl)ethanamine
CID 104998923
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(5-methyloxolan-3-yl)ethanamine
CID 104998621
N-[2-(5-chloro-2-fluorophenyl)-1-(5-methyloxolan-3-yl)ethyl]propan-1-amine
CID 103052831
N-[1-(5-methyloxolan-3-yl)-2-pyridin-4-ylethyl]propan-1-amine
CID 114825972
4-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine
CID 115346698
2-(2,5-dimethylpyrazol-3-yl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine
CID 104996471
N-[2-(1-butan-2-ylpyrazol-3-yl)-1-(5-methyloxolan-3-yl)ethyl]propan-1-amine
CID 104989907
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-propyl-3-(thian-4-yl)propan-2-amine
CID 105158775
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-methyl-N-propylhexan-2-amine
CID 104996853
N-[1-(5-methyloxolan-3-yl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 114825893

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(5-methyloxolan-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(5-methyloxolan-3-yl)ethyl]propan-1-amine (CID 104996890) is N-[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(5-methyloxolan-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(5-methyloxolan-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(5-methyloxolan-3-yl)ethyl]propan-1-amine is CCCNC(Cc1c(Cl)c(C)nn1C)C1COC(C)C1.
What is the InChIKey of N-[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(5-methyloxolan-3-yl)ethyl]propan-1-amine?
The InChIKey is TWURCHIUGDTDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClN3O/c1-5-6-17-13(12-7-10(2)20-9-12)8-14-15(16)11(3)18-19(14)4/h10,12-13,17H,5-9H2,1-4H3.
What are the key properties of N-[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(5-methyloxolan-3-yl)ethyl]propan-1-amine?
N-[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(5-methyloxolan-3-yl)ethyl]propan-1-amine has a molecular weight of 299.85 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(5-methyloxolan-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 104996890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).