N-ethyl-4-methoxy-4-methyl-1-(1-methylpyrazol-4-yl)pentan-2-amine

C13H25N3O — CID 103024993

IUPACN-ethyl-4-methoxy-4-methyl-1-(1-methylpyrazol-4-yl)pentan-2-amine
SMILESCCNC(Cc1cnn(C)c1)CC(C)(C)OC
InChIInChI=1S/C13H25N3O/c1-6-14-12(8-13(2,3)17-5)7-11-9-15-16(4)10-11/h9-10,12,14H,6-8H2,1-5H3
InChIKeyGDMLMLHMJKSMNR-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.76
Rot. Bonds7

About N-ethyl-4-methoxy-4-methyl-1-(1-methylpyrazol-4-yl)pentan-2-amine

N-ethyl-4-methoxy-4-methyl-1-(1-methylpyrazol-4-yl)pentan-2-amine (PubChem CID 103024993) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is N-ethyl-4-methoxy-4-methyl-1-(1-methylpyrazol-4-yl)pentan-2-amine.

Molecular Properties

Compound NameN-ethyl-4-methoxy-4-methyl-1-(1-methylpyrazol-4-yl)pentan-2-amine
PubChem CID103024993
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC NameN-ethyl-4-methoxy-4-methyl-1-(1-methylpyrazol-4-yl)pentan-2-amine
SMILESCCNC(Cc1cnn(C)c1)CC(C)(C)OC
InChIInChI=1S/C13H25N3O/c1-6-14-12(8-13(2,3)17-5)7-11-9-15-16(4)10-11/h9-10,12,14H,6-8H2,1-5H3
InChIKeyGDMLMLHMJKSMNR-UHFFFAOYSA-N
XLogP1.76
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Furanamine, tetrahydro-2-(1-methyl-1H-pyrazol-4-yl)-, (2S,3R)-
CID 121553712
1-methyl-4-[(pyrrolidin-2-yl)methyl]-1H-pyrazole
CID 64089898
2-(1-methyl-1H-pyrazol-4-yl)oxan-4-amine dihydrochloride
CID 119056955
rac-(2R,3S)-2-[1-(propan-2-yl)-1H-pyrazol-4-yl]oxolan-3-amine dihydrochloride
CID 122155807
1-(1-Ethylpyrazol-4-yl)-3-methoxy-3-methylbutan-1-amine
CID 103024967
N-ethyl-1-(1-ethylpyrazol-4-yl)-3-methoxy-3-methylbutan-1-amine
CID 103024968
1-(1-ethylpyrazol-4-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine
CID 103024969
4-methoxy-N,4-dimethyl-1-(1-methylpyrazol-4-yl)pentan-2-amine
CID 103024991
4-Methoxy-4-methyl-1-(1-methylpyrazol-4-yl)pentan-2-amine
CID 103024992
1-(1-ethylpyrazol-4-yl)-4-methoxy-4-methyl-N-propylpentan-2-amine
CID 103024996
[3-Methoxy-3-methyl-1-(1-propylpyrazol-4-yl)butyl]hydrazine
CID 103025203
[3-Methoxy-3-methyl-1-(1-methylpyrazol-4-yl)butyl]hydrazine
CID 103025204

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methoxy-4-methyl-1-(1-methylpyrazol-4-yl)pentan-2-amine?
The IUPAC name of N-ethyl-4-methoxy-4-methyl-1-(1-methylpyrazol-4-yl)pentan-2-amine (CID 103024993) is N-ethyl-4-methoxy-4-methyl-1-(1-methylpyrazol-4-yl)pentan-2-amine.
What is the SMILES notation for N-ethyl-4-methoxy-4-methyl-1-(1-methylpyrazol-4-yl)pentan-2-amine?
The canonical SMILES for N-ethyl-4-methoxy-4-methyl-1-(1-methylpyrazol-4-yl)pentan-2-amine is CCNC(Cc1cnn(C)c1)CC(C)(C)OC.
What is the InChIKey of N-ethyl-4-methoxy-4-methyl-1-(1-methylpyrazol-4-yl)pentan-2-amine?
The InChIKey is GDMLMLHMJKSMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-6-14-12(8-13(2,3)17-5)7-11-9-15-16(4)10-11/h9-10,12,14H,6-8H2,1-5H3.
What are the key properties of N-ethyl-4-methoxy-4-methyl-1-(1-methylpyrazol-4-yl)pentan-2-amine?
N-ethyl-4-methoxy-4-methyl-1-(1-methylpyrazol-4-yl)pentan-2-amine has a molecular weight of 239.36 g/mol, XLogP of 1.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methoxy-4-methyl-1-(1-methylpyrazol-4-yl)pentan-2-amine is sourced from PubChem (CID 103024993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).