3-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-N-propyloxan-4-amine

C15H26ClN3O — CID 106469545

IUPAC3-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-N-propyloxan-4-amine
SMILESCCCNC1CCOCC1Cc1c(Cl)c(CC)nn1C
InChIInChI=1S/C15H26ClN3O/c1-4-7-17-13-6-8-20-10-11(13)9-14-15(16)12(5-2)18-19(14)3/h11,13,17H,4-10H2,1-3H3
InChIKeyZGLDTASKDDWELE-UHFFFAOYSA-N
MW299.85 g/mol
LogP2.58
Rot. Bonds6

About 3-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-N-propyloxan-4-amine

3-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-N-propyloxan-4-amine (PubChem CID 106469545) has the molecular formula C15H26ClN3O and a molecular weight of 299.85 g/mol. Its IUPAC name is 3-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-N-propyloxan-4-amine.

Molecular Properties

Compound Name3-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-N-propyloxan-4-amine
PubChem CID106469545
Molecular FormulaC15H26ClN3O
Molecular Weight299.85 g/mol
Exact Mass299.18
IUPAC Name3-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-N-propyloxan-4-amine
SMILESCCCNC1CCOCC1Cc1c(Cl)c(CC)nn1C
InChIInChI=1S/C15H26ClN3O/c1-4-7-17-13-6-8-20-10-11(13)9-14-15(16)12(5-2)18-19(14)3/h11,13,17H,4-10H2,1-3H3
InChIKeyZGLDTASKDDWELE-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-N-propyloxan-4-amine?
The IUPAC name of 3-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-N-propyloxan-4-amine (CID 106469545) is 3-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-N-propyloxan-4-amine.
What is the SMILES notation for 3-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-N-propyloxan-4-amine?
The canonical SMILES for 3-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-N-propyloxan-4-amine is CCCNC1CCOCC1Cc1c(Cl)c(CC)nn1C.
What is the InChIKey of 3-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-N-propyloxan-4-amine?
The InChIKey is ZGLDTASKDDWELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClN3O/c1-4-7-17-13-6-8-20-10-11(13)9-14-15(16)12(5-2)18-19(14)3/h11,13,17H,4-10H2,1-3H3.
What are the key properties of 3-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-N-propyloxan-4-amine?
3-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-N-propyloxan-4-amine has a molecular weight of 299.85 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-N-propyloxan-4-amine is sourced from PubChem (CID 106469545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).