N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-ethoxy-2-methylpropan-1-amine

C12H23N3O — CID 114941325

IUPACN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-ethoxy-2-methylpropan-1-amine
SMILESCCOC(C)(C)CNCc1c(C)n[nH]c1C
InChIInChI=1S/C12H23N3O/c1-6-16-12(4,5)8-13-7-11-9(2)14-15-10(11)3/h13H,6-8H2,1-5H3,(H,14,15)
InChIKeyTXGGMVJEQLYJSN-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.93
Rot. Bonds6

About N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-ethoxy-2-methylpropan-1-amine

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-ethoxy-2-methylpropan-1-amine (PubChem CID 114941325) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-ethoxy-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-ethoxy-2-methylpropan-1-amine
PubChem CID114941325
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-ethoxy-2-methylpropan-1-amine
SMILESCCOC(C)(C)CNCc1c(C)n[nH]c1C
InChIInChI=1S/C12H23N3O/c1-6-16-12(4,5)8-13-7-11-9(2)14-15-10(11)3/h13H,6-8H2,1-5H3,(H,14,15)
InChIKeyTXGGMVJEQLYJSN-UHFFFAOYSA-N
XLogP1.93
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-ethoxy-2-methylpropan-1-amine?
The IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-ethoxy-2-methylpropan-1-amine (CID 114941325) is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-ethoxy-2-methylpropan-1-amine.
What is the SMILES notation for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-ethoxy-2-methylpropan-1-amine?
The canonical SMILES for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-ethoxy-2-methylpropan-1-amine is CCOC(C)(C)CNCc1c(C)n[nH]c1C.
What is the InChIKey of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-ethoxy-2-methylpropan-1-amine?
The InChIKey is TXGGMVJEQLYJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-6-16-12(4,5)8-13-7-11-9(2)14-15-10(11)3/h13H,6-8H2,1-5H3,(H,14,15).
What are the key properties of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-ethoxy-2-methylpropan-1-amine?
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-ethoxy-2-methylpropan-1-amine has a molecular weight of 225.34 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-ethoxy-2-methylpropan-1-amine is sourced from PubChem (CID 114941325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).