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

C15H27N3O — CID 63975942

IUPACN-[2-(oxolan-2-yl)-1-(2-propylpyrazol-3-yl)ethyl]propan-1-amine
SMILESCCCNC(CC1CCCO1)c1ccnn1CCC
InChIInChI=1S/C15H27N3O/c1-3-8-16-14(12-13-6-5-11-19-13)15-7-9-17-18(15)10-4-2/h7,9,13-14,16H,3-6,8,10-12H2,1-2H3
InChIKeyNBWNCVGCGCIMFN-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.90
Rot. Bonds8

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

N-[2-(oxolan-2-yl)-1-(2-propylpyrazol-3-yl)ethyl]propan-1-amine (PubChem CID 63975942) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[2-(oxolan-2-yl)-1-(2-propylpyrazol-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(oxolan-2-yl)-1-(2-propylpyrazol-3-yl)ethyl]propan-1-amine
PubChem CID63975942
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC NameN-[2-(oxolan-2-yl)-1-(2-propylpyrazol-3-yl)ethyl]propan-1-amine
SMILESCCCNC(CC1CCCO1)c1ccnn1CCC
InChIInChI=1S/C15H27N3O/c1-3-8-16-14(12-13-6-5-11-19-13)15-7-9-17-18(15)10-4-2/h7,9,13-14,16H,3-6,8,10-12H2,1-2H3
InChIKeyNBWNCVGCGCIMFN-UHFFFAOYSA-N
XLogP2.90
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-(2-ethylpyrazol-3-yl)-2-(oxolan-2-yl)ethanamine
CID 63975733
N-[2-(oxan-2-yl)-1-(3-propyltriazol-4-yl)ethyl]propan-1-amine
CID 114689062
N-[1-(4-bromo-1-propylpyrazol-5-yl)-2-(oxan-2-yl)ethyl]propan-1-amine
CID 114660477
1-(4-chloro-1-propylpyrazol-5-yl)-N-ethyl-2-(oxolan-2-yl)ethanamine
CID 114647464
[2-cyclopentyl-1-(2-propylpyrazol-3-yl)ethyl]hydrazine
CID 105307026
N-[2-propan-2-yloxy-1-(2-propylpyrazol-3-yl)ethyl]propan-1-amine
CID 105148237
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-[2-(4-methylphenyl)-1-(2-propylpyrazol-3-yl)ethyl]propan-1-amine
CID 63976175
1-(4-bromo-1-propylpyrazol-5-yl)-N-ethyl-2-(oxolan-2-yl)ethanamine
CID 114647467
N-[2-(oxolan-2-yl)-1-(2,3,5,6-tetramethylphenyl)ethyl]propan-1-amine
CID 65156184
[2-cyclopropyl-1-(2-propylpyrazol-3-yl)ethyl]hydrazine
CID 105254012

Frequently Asked Questions

What is the IUPAC name of N-[2-(oxolan-2-yl)-1-(2-propylpyrazol-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(oxolan-2-yl)-1-(2-propylpyrazol-3-yl)ethyl]propan-1-amine (CID 63975942) is N-[2-(oxolan-2-yl)-1-(2-propylpyrazol-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(oxolan-2-yl)-1-(2-propylpyrazol-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(oxolan-2-yl)-1-(2-propylpyrazol-3-yl)ethyl]propan-1-amine is CCCNC(CC1CCCO1)c1ccnn1CCC.
What is the InChIKey of N-[2-(oxolan-2-yl)-1-(2-propylpyrazol-3-yl)ethyl]propan-1-amine?
The InChIKey is NBWNCVGCGCIMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-3-8-16-14(12-13-6-5-11-19-13)15-7-9-17-18(15)10-4-2/h7,9,13-14,16H,3-6,8,10-12H2,1-2H3.
What are the key properties of N-[2-(oxolan-2-yl)-1-(2-propylpyrazol-3-yl)ethyl]propan-1-amine?
N-[2-(oxolan-2-yl)-1-(2-propylpyrazol-3-yl)ethyl]propan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(oxolan-2-yl)-1-(2-propylpyrazol-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 63975942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).