N-ethyl-3-(2-methylpyrazol-3-yl)-1-(oxan-2-yl)propan-1-amine

C14H25N3O — CID 103030505

IUPACN-ethyl-3-(2-methylpyrazol-3-yl)-1-(oxan-2-yl)propan-1-amine
SMILESCCNC(CCc1ccnn1C)C1CCCCO1
InChIInChI=1S/C14H25N3O/c1-3-15-13(14-6-4-5-11-18-14)8-7-12-9-10-16-17(12)2/h9-10,13-15H,3-8,11H2,1-2H3
InChIKeyFRUBJLHIRZGQQK-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.90
Rot. Bonds6

About N-ethyl-3-(2-methylpyrazol-3-yl)-1-(oxan-2-yl)propan-1-amine

N-ethyl-3-(2-methylpyrazol-3-yl)-1-(oxan-2-yl)propan-1-amine (PubChem CID 103030505) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-ethyl-3-(2-methylpyrazol-3-yl)-1-(oxan-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(2-methylpyrazol-3-yl)-1-(oxan-2-yl)propan-1-amine
PubChem CID103030505
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-ethyl-3-(2-methylpyrazol-3-yl)-1-(oxan-2-yl)propan-1-amine
SMILESCCNC(CCc1ccnn1C)C1CCCCO1
InChIInChI=1S/C14H25N3O/c1-3-15-13(14-6-4-5-11-18-14)8-7-12-9-10-16-17(12)2/h9-10,13-15H,3-8,11H2,1-2H3
InChIKeyFRUBJLHIRZGQQK-UHFFFAOYSA-N
XLogP1.90
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 ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(7-bicyclo[4.1.0]heptanyl)-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030487
1-cyclobutyl-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103010387
N-ethyl-1-(4-methylcyclohexyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103009722
1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103012109
4-(2-methylpyrazol-3-yl)-1-(oxan-2-yl)butan-2-ol
CID 103008506
1-(2,3-dihydro-1-benzothiophen-3-yl)-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030479
1-(2-methylpyrazol-3-yl)-5-(oxan-2-yl)pentan-3-ol
CID 103028043
1-cyclohexyl-N-ethyl-1-methoxy-4-(2-methylpyrazol-3-yl)butan-2-amine
CID 103012610
3-(2-methylpyrazol-3-yl)-N-propyl-1-(thian-2-yl)propan-1-amine
CID 103011691
1-cyclooctyl-3-(2-methylpyrazol-3-yl)propan-1-ol
CID 103008398
N-ethyl-4-(2-methylpyrazol-3-yl)-1-methylsulfanylbutan-2-amine
CID 103009884
2-(4-tert-butylphenyl)-N-ethyl-1-(oxan-2-yl)ethanamine
CID 115842866

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(2-methylpyrazol-3-yl)-1-(oxan-2-yl)propan-1-amine?
The IUPAC name of N-ethyl-3-(2-methylpyrazol-3-yl)-1-(oxan-2-yl)propan-1-amine (CID 103030505) is N-ethyl-3-(2-methylpyrazol-3-yl)-1-(oxan-2-yl)propan-1-amine.
What is the SMILES notation for N-ethyl-3-(2-methylpyrazol-3-yl)-1-(oxan-2-yl)propan-1-amine?
The canonical SMILES for N-ethyl-3-(2-methylpyrazol-3-yl)-1-(oxan-2-yl)propan-1-amine is CCNC(CCc1ccnn1C)C1CCCCO1.
What is the InChIKey of N-ethyl-3-(2-methylpyrazol-3-yl)-1-(oxan-2-yl)propan-1-amine?
The InChIKey is FRUBJLHIRZGQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-3-15-13(14-6-4-5-11-18-14)8-7-12-9-10-16-17(12)2/h9-10,13-15H,3-8,11H2,1-2H3.
What are the key properties of N-ethyl-3-(2-methylpyrazol-3-yl)-1-(oxan-2-yl)propan-1-amine?
N-ethyl-3-(2-methylpyrazol-3-yl)-1-(oxan-2-yl)propan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(2-methylpyrazol-3-yl)-1-(oxan-2-yl)propan-1-amine is sourced from PubChem (CID 103030505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).