3,5-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethoxy]aniline

C14H19N3O — CID 102999366

IUPAC3,5-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethoxy]aniline
SMILESCc1cc(N)cc(C)c1OCCc1cnn(C)c1
InChIInChI=1S/C14H19N3O/c1-10-6-13(15)7-11(2)14(10)18-5-4-12-8-16-17(3)9-12/h6-9H,4-5,15H2,1-3H3
InChIKeyMGMRWSQEUSISKQ-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.24
Rot. Bonds4

About 3,5-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethoxy]aniline

3,5-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethoxy]aniline (PubChem CID 102999366) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 3,5-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethoxy]aniline.

Molecular Properties

Compound Name3,5-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethoxy]aniline
PubChem CID102999366
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name3,5-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethoxy]aniline
SMILESCc1cc(N)cc(C)c1OCCc1cnn(C)c1
InChIInChI=1S/C14H19N3O/c1-10-6-13(15)7-11(2)14(10)18-5-4-12-8-16-17(3)9-12/h6-9H,4-5,15H2,1-3H3
InChIKeyMGMRWSQEUSISKQ-UHFFFAOYSA-N
XLogP2.24
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3,5-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzenesulfonamide
CID 103003963
[3,5-difluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanamine
CID 102999868
5-fluoro-2-methyl-4-[2-(1-methylpyrazol-4-yl)ethoxy]aniline
CID 102999396
3-fluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]aniline
CID 102999336
[3,5-dibromo-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanol
CID 107739097
4-[2-(4-fluoro-3-methylphenoxy)ethyl]-1-methylpyrazole
CID 103792119
N-methyl-1-[3-methyl-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanamine
CID 102999924
[3,5-dimethyl-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanol
CID 28933161
[3-ethoxy-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanamine
CID 102999274
[3,5-dichloro-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanol
CID 103003499
5-bromo-2-fluoro-3-[2-(1-methylpyrazol-4-yl)ethoxy]pyridine
CID 167971668
3-[2-methyl-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]prop-2-yn-1-amine
CID 103012966

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethoxy]aniline?
The IUPAC name of 3,5-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethoxy]aniline (CID 102999366) is 3,5-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethoxy]aniline.
What is the SMILES notation for 3,5-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethoxy]aniline?
The canonical SMILES for 3,5-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethoxy]aniline is Cc1cc(N)cc(C)c1OCCc1cnn(C)c1.
What is the InChIKey of 3,5-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethoxy]aniline?
The InChIKey is MGMRWSQEUSISKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10-6-13(15)7-11(2)14(10)18-5-4-12-8-16-17(3)9-12/h6-9H,4-5,15H2,1-3H3.
What are the key properties of 3,5-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethoxy]aniline?
3,5-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethoxy]aniline has a molecular weight of 245.33 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethoxy]aniline is sourced from PubChem (CID 102999366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).