N-[(2-ethylpyrazol-3-yl)-(oxan-4-yl)methyl]propan-1-amine

C14H25N3O — CID 65334450

IUPACN-[(2-ethylpyrazol-3-yl)-(oxan-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccnn1CC)C1CCOCC1
InChIInChI=1S/C14H25N3O/c1-3-8-15-14(12-6-10-18-11-7-12)13-5-9-16-17(13)4-2/h5,9,12,14-15H,3-4,6-8,10-11H2,1-2H3
InChIKeyZBFWGFAWPQYPKS-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.37
Rot. Bonds6

About N-[(2-ethylpyrazol-3-yl)-(oxan-4-yl)methyl]propan-1-amine

N-[(2-ethylpyrazol-3-yl)-(oxan-4-yl)methyl]propan-1-amine (PubChem CID 65334450) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[(2-ethylpyrazol-3-yl)-(oxan-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-ethylpyrazol-3-yl)-(oxan-4-yl)methyl]propan-1-amine
PubChem CID65334450
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-[(2-ethylpyrazol-3-yl)-(oxan-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccnn1CC)C1CCOCC1
InChIInChI=1S/C14H25N3O/c1-3-8-15-14(12-6-10-18-11-7-12)13-5-9-16-17(13)4-2/h5,9,12,14-15H,3-4,6-8,10-11H2,1-2H3
InChIKeyZBFWGFAWPQYPKS-UHFFFAOYSA-N
XLogP2.37
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-ethylpyrazol-3-yl)-(oxolan-3-yl)methyl]propan-1-amine
CID 65330423
N-[(4-methylcyclohexyl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine
CID 63974485
N-[(2-ethylpyrazol-3-yl)-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107188815
1-cyclopentyl-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine
CID 63976376
N-[(2-ethyl-5-methylpyrazol-3-yl)-(oxolan-3-yl)methyl]propan-1-amine
CID 105147499
N-[oxan-4-yl(pyridazin-4-yl)methyl]propan-1-amine
CID 105147199
N-[(4-chloro-1-propylpyrazol-5-yl)-(oxan-4-yl)methyl]propan-1-amine
CID 114654894
N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-ethylpyrazol-3-yl)methyl]propan-1-amine
CID 64984270
1-(2-ethylpyrazol-3-yl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine
CID 65423027
N-[(4-ethylcyclohexyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 65395621
N-[cyclopropyl-(1,3-diethylpyrazol-5-yl)methyl]propan-1-amine
CID 105157194
N-[cyclooctyl-(2-propylpyrazol-3-yl)methyl]ethanamine
CID 80603885

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylpyrazol-3-yl)-(oxan-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2-ethylpyrazol-3-yl)-(oxan-4-yl)methyl]propan-1-amine (CID 65334450) is N-[(2-ethylpyrazol-3-yl)-(oxan-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-ethylpyrazol-3-yl)-(oxan-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-ethylpyrazol-3-yl)-(oxan-4-yl)methyl]propan-1-amine is CCCNC(c1ccnn1CC)C1CCOCC1.
What is the InChIKey of N-[(2-ethylpyrazol-3-yl)-(oxan-4-yl)methyl]propan-1-amine?
The InChIKey is ZBFWGFAWPQYPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-3-8-15-14(12-6-10-18-11-7-12)13-5-9-16-17(13)4-2/h5,9,12,14-15H,3-4,6-8,10-11H2,1-2H3.
What are the key properties of N-[(2-ethylpyrazol-3-yl)-(oxan-4-yl)methyl]propan-1-amine?
N-[(2-ethylpyrazol-3-yl)-(oxan-4-yl)methyl]propan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylpyrazol-3-yl)-(oxan-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 65334450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).