N-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)-2,2-dimethylbutan-1-amine

C13H25N3O — CID 105047085

IUPACN-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)-2,2-dimethylbutan-1-amine
SMILESCCNC(c1c(OC)cnn1C)C(C)(C)CC
InChIInChI=1S/C13H25N3O/c1-7-13(3,4)12(14-8-2)11-10(17-6)9-15-16(11)5/h9,12,14H,7-8H2,1-6H3
InChIKeyMCVKOCGFELFZIG-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.52
Rot. Bonds6

About N-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)-2,2-dimethylbutan-1-amine

N-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)-2,2-dimethylbutan-1-amine (PubChem CID 105047085) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is N-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)-2,2-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)-2,2-dimethylbutan-1-amine
PubChem CID105047085
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC NameN-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)-2,2-dimethylbutan-1-amine
SMILESCCNC(c1c(OC)cnn1C)C(C)(C)CC
InChIInChI=1S/C13H25N3O/c1-7-13(3,4)12(14-8-2)11-10(17-6)9-15-16(11)5/h9,12,14H,7-8H2,1-6H3
InChIKeyMCVKOCGFELFZIG-UHFFFAOYSA-N
XLogP2.52
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)-2,2-dimethylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-methoxy-1-methylpyrazol-5-yl)-2,2-dimethylbutan-1-amine
CID 105047205
2-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)-2-N,2-N-dimethyl-1-N-propylbutane-1,2-diamine
CID 114656917
N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methoxy-2-methylbutan-1-amine
CID 114661573
N,N-diethyl-1-hydrazinyl-1-(4-methoxy-1-methylpyrazol-5-yl)-2-methylpropan-2-amine
CID 105239351
N-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)hexan-1-amine
CID 105046940
2,2,2-trifluoro-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylethanamine
CID 105047293
N-[(3-bromo-2-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine
CID 114660568
3-cyclopentyl-N-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)propan-1-amine
CID 105047094
2-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)butane-1,2-diol
CID 103449219
N-[(4-chlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine
CID 114646379
2-butan-2-ylsulfanyl-N-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine
CID 114654035
N-[(1-methoxycyclobutyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine
CID 114660947

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)-2,2-dimethylbutan-1-amine?
The IUPAC name of N-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)-2,2-dimethylbutan-1-amine (CID 105047085) is N-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)-2,2-dimethylbutan-1-amine.
What is the SMILES notation for N-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)-2,2-dimethylbutan-1-amine?
The canonical SMILES for N-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)-2,2-dimethylbutan-1-amine is CCNC(c1c(OC)cnn1C)C(C)(C)CC.
What is the InChIKey of N-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)-2,2-dimethylbutan-1-amine?
The InChIKey is MCVKOCGFELFZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-7-13(3,4)12(14-8-2)11-10(17-6)9-15-16(11)5/h9,12,14H,7-8H2,1-6H3.
What are the key properties of N-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)-2,2-dimethylbutan-1-amine?
N-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)-2,2-dimethylbutan-1-amine has a molecular weight of 239.36 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)-2,2-dimethylbutan-1-amine is sourced from PubChem (CID 105047085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).