N-[2-propan-2-yloxy-1-(2-propylpyrazol-3-yl)ethyl]propan-1-amine

C14H27N3O — CID 105148237

IUPACN-[2-propan-2-yloxy-1-(2-propylpyrazol-3-yl)ethyl]propan-1-amine
SMILESCCCNC(COC(C)C)c1ccnn1CCC
InChIInChI=1S/C14H27N3O/c1-5-8-15-13(11-18-12(3)4)14-7-9-16-17(14)10-6-2/h7,9,12-13,15H,5-6,8,10-11H2,1-4H3
InChIKeyNPIZKNPOSWQSPR-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.76
Rot. Bonds9

About N-[2-propan-2-yloxy-1-(2-propylpyrazol-3-yl)ethyl]propan-1-amine

N-[2-propan-2-yloxy-1-(2-propylpyrazol-3-yl)ethyl]propan-1-amine (PubChem CID 105148237) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is N-[2-propan-2-yloxy-1-(2-propylpyrazol-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-propan-2-yloxy-1-(2-propylpyrazol-3-yl)ethyl]propan-1-amine
PubChem CID105148237
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC NameN-[2-propan-2-yloxy-1-(2-propylpyrazol-3-yl)ethyl]propan-1-amine
SMILESCCCNC(COC(C)C)c1ccnn1CCC
InChIInChI=1S/C14H27N3O/c1-5-8-15-13(11-18-12(3)4)14-7-9-16-17(14)10-6-2/h7,9,12-13,15H,5-6,8,10-11H2,1-4H3
InChIKeyNPIZKNPOSWQSPR-UHFFFAOYSA-N
XLogP2.76
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-propan-2-yloxy-1-(2-propylpyrazol-3-yl)ethyl]propan-1-amine 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

[2-propan-2-yloxy-1-(2-propylpyrazol-3-yl)ethyl]hydrazine
CID 105306916
3,5,5-trimethyl-N-propyl-1-(2-propylpyrazol-3-yl)hexan-1-amine
CID 115857679
N-[2-(4-methylphenyl)-1-(2-propylpyrazol-3-yl)ethyl]propan-1-amine
CID 63976175
N-ethyl-2-phenoxy-1-(2-propylpyrazol-3-yl)ethanamine
CID 63976177
N-ethyl-3-methyl-1-(2-propylpyrazol-3-yl)butan-1-amine
CID 63976154
2,2-dimethyl-N-propyl-1-(2-propylpyrazol-3-yl)propan-1-amine
CID 63974473
N-[2-(oxolan-2-yl)-1-(2-propylpyrazol-3-yl)ethyl]propan-1-amine
CID 63975942
N-[2-(cyclohexen-1-yl)-1-(2-propylpyrazol-3-yl)ethyl]propan-1-amine
CID 116662180
N-[(4-methylcyclohexyl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine
CID 63974485
N-ethyl-1-(2-propylpyrazol-3-yl)pentan-1-amine
CID 79405561
N-[1-(furan-2-yl)-2-propan-2-yloxyethyl]propan-1-amine
CID 79574726
4-ethoxy-1-(2-ethylpyrazol-3-yl)-N-propylbutan-1-amine
CID 105148476

Frequently Asked Questions

What is the IUPAC name of N-[2-propan-2-yloxy-1-(2-propylpyrazol-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-propan-2-yloxy-1-(2-propylpyrazol-3-yl)ethyl]propan-1-amine (CID 105148237) is N-[2-propan-2-yloxy-1-(2-propylpyrazol-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-propan-2-yloxy-1-(2-propylpyrazol-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-propan-2-yloxy-1-(2-propylpyrazol-3-yl)ethyl]propan-1-amine is CCCNC(COC(C)C)c1ccnn1CCC.
What is the InChIKey of N-[2-propan-2-yloxy-1-(2-propylpyrazol-3-yl)ethyl]propan-1-amine?
The InChIKey is NPIZKNPOSWQSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-5-8-15-13(11-18-12(3)4)14-7-9-16-17(14)10-6-2/h7,9,12-13,15H,5-6,8,10-11H2,1-4H3.
What are the key properties of N-[2-propan-2-yloxy-1-(2-propylpyrazol-3-yl)ethyl]propan-1-amine?
N-[2-propan-2-yloxy-1-(2-propylpyrazol-3-yl)ethyl]propan-1-amine has a molecular weight of 253.39 g/mol, XLogP of 2.76, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-propan-2-yloxy-1-(2-propylpyrazol-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 105148237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).