N-[(1-propylpyrazol-4-yl)methyl]oxan-4-amine

C12H21N3O — CID 115632215

IUPACN-[(1-propylpyrazol-4-yl)methyl]oxan-4-amine
SMILESCCCn1cc(CNC2CCOCC2)cn1
InChIInChI=1S/C12H21N3O/c1-2-5-15-10-11(9-14-15)8-13-12-3-6-16-7-4-12/h9-10,12-13H,2-8H2,1H3
InChIKeyWMLQOIGYXAORKN-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.56
Rot. Bonds5

About N-[(1-propylpyrazol-4-yl)methyl]oxan-4-amine

N-[(1-propylpyrazol-4-yl)methyl]oxan-4-amine (PubChem CID 115632215) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[(1-propylpyrazol-4-yl)methyl]oxan-4-amine.

Molecular Properties

Compound NameN-[(1-propylpyrazol-4-yl)methyl]oxan-4-amine
PubChem CID115632215
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-[(1-propylpyrazol-4-yl)methyl]oxan-4-amine
SMILESCCCn1cc(CNC2CCOCC2)cn1
InChIInChI=1S/C12H21N3O/c1-2-5-15-10-11(9-14-15)8-13-12-3-6-16-7-4-12/h9-10,12-13H,2-8H2,1H3
InChIKeyWMLQOIGYXAORKN-UHFFFAOYSA-N
XLogP1.56
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-ethylpyrazol-4-yl)methyl]oxan-4-amine
CID 62125824
N-[(1-heptylpyrazol-4-yl)methyl]cyclopropanamine
CID 55110496
1-methyl-N-[(1-propylpyrazol-4-yl)methyl]piperidin-3-amine
CID 113237556
N-[(1-ethylpyrazol-4-yl)methyl]-1-propylpiperidin-4-amine
CID 62127257
N-[(1-methylpyrazol-4-yl)methyl]oxolan-3-amine
CID 63335876
N-[(1-ethylpyrazol-4-yl)methyl]cyclooctanamine
CID 62126333
N-[[1-(3-methylbut-3-enyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 114477117
1-(2-ethyloxolan-3-yl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 114105058
3-morpholin-4-yl-N-[(1-propylpyrazol-4-yl)methyl]propan-1-amine
CID 103673638
3-morpholin-4-yl-N-[(1-propylpyrazol-4-yl)methyl]propan-1-amine;dihydrochloride
CID 126966477
N-[(1-methylpyrrol-3-yl)methyl]oxan-4-amine
CID 66397450
1-(1-ethylpyrazol-4-yl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 122166789

Frequently Asked Questions

What is the IUPAC name of N-[(1-propylpyrazol-4-yl)methyl]oxan-4-amine?
The IUPAC name of N-[(1-propylpyrazol-4-yl)methyl]oxan-4-amine (CID 115632215) is N-[(1-propylpyrazol-4-yl)methyl]oxan-4-amine.
What is the SMILES notation for N-[(1-propylpyrazol-4-yl)methyl]oxan-4-amine?
The canonical SMILES for N-[(1-propylpyrazol-4-yl)methyl]oxan-4-amine is CCCn1cc(CNC2CCOCC2)cn1.
What is the InChIKey of N-[(1-propylpyrazol-4-yl)methyl]oxan-4-amine?
The InChIKey is WMLQOIGYXAORKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-2-5-15-10-11(9-14-15)8-13-12-3-6-16-7-4-12/h9-10,12-13H,2-8H2,1H3.
What are the key properties of N-[(1-propylpyrazol-4-yl)methyl]oxan-4-amine?
N-[(1-propylpyrazol-4-yl)methyl]oxan-4-amine has a molecular weight of 223.32 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propylpyrazol-4-yl)methyl]oxan-4-amine is sourced from PubChem (CID 115632215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).