1-[(2-methylpropan-2-yl)oxy]-4-(1-methylpyrazol-4-yl)butan-2-amine

C12H23N3O — CID 103029724

IUPAC1-[(2-methylpropan-2-yl)oxy]-4-(1-methylpyrazol-4-yl)butan-2-amine
SMILESCn1cc(CCC(N)COC(C)(C)C)cn1
InChIInChI=1S/C12H23N3O/c1-12(2,3)16-9-11(13)6-5-10-7-14-15(4)8-10/h7-8,11H,5-6,9,13H2,1-4H3
InChIKeySONSUWVYBIFZAE-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.50
Rot. Bonds5

About 1-[(2-methylpropan-2-yl)oxy]-4-(1-methylpyrazol-4-yl)butan-2-amine

1-[(2-methylpropan-2-yl)oxy]-4-(1-methylpyrazol-4-yl)butan-2-amine (PubChem CID 103029724) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxy]-4-(1-methylpyrazol-4-yl)butan-2-amine.

Molecular Properties

Compound Name1-[(2-methylpropan-2-yl)oxy]-4-(1-methylpyrazol-4-yl)butan-2-amine
PubChem CID103029724
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name1-[(2-methylpropan-2-yl)oxy]-4-(1-methylpyrazol-4-yl)butan-2-amine
SMILESCn1cc(CCC(N)COC(C)(C)C)cn1
InChIInChI=1S/C12H23N3O/c1-12(2,3)16-9-11(13)6-5-10-7-14-15(4)8-10/h7-8,11H,5-6,9,13H2,1-4H3
InChIKeySONSUWVYBIFZAE-UHFFFAOYSA-N
XLogP1.50
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(2-methylpropan-2-yl)oxy]-4-(1-methylpyrazol-4-yl)butan-2-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

3-Furanamine, tetrahydro-2-(1-methyl-1H-pyrazol-4-yl)-, (2S,3R)-
CID 121553712
4-(1-methyl-1H-pyrazol-4-yl)butan-2-amine
CID 62127805
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
rac-(2R,3S)-2-[1-(2-methoxyethyl)-1H-pyrazol-4-yl]oxolan-3-amine dihydrochloride
CID 122164099
rac-(2R,3S)-2-(1-(cyclopropylmethyl)-1H-pyrazol-4-yl)oxolan-3-amine dihydrochloride
CID 122164221
[2-(1-methyl-1H-pyrazol-4-yl)oxolan-2-yl]methanamine
CID 132343993
1-(1-Methyl-1h-pyrazol-4-yl)-7-oxa-2-azaspiro[3.5]nonane dihydrochloride
CID 154878984
2-amino-3-(1-methyl-1H-pyrazol-4-yl)propan-1-ol
CID 55254473
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

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpropan-2-yl)oxy]-4-(1-methylpyrazol-4-yl)butan-2-amine?
The IUPAC name of 1-[(2-methylpropan-2-yl)oxy]-4-(1-methylpyrazol-4-yl)butan-2-amine (CID 103029724) is 1-[(2-methylpropan-2-yl)oxy]-4-(1-methylpyrazol-4-yl)butan-2-amine.
What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxy]-4-(1-methylpyrazol-4-yl)butan-2-amine?
The canonical SMILES for 1-[(2-methylpropan-2-yl)oxy]-4-(1-methylpyrazol-4-yl)butan-2-amine is Cn1cc(CCC(N)COC(C)(C)C)cn1.
What is the InChIKey of 1-[(2-methylpropan-2-yl)oxy]-4-(1-methylpyrazol-4-yl)butan-2-amine?
The InChIKey is SONSUWVYBIFZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-12(2,3)16-9-11(13)6-5-10-7-14-15(4)8-10/h7-8,11H,5-6,9,13H2,1-4H3.
What are the key properties of 1-[(2-methylpropan-2-yl)oxy]-4-(1-methylpyrazol-4-yl)butan-2-amine?
1-[(2-methylpropan-2-yl)oxy]-4-(1-methylpyrazol-4-yl)butan-2-amine has a molecular weight of 225.34 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpropan-2-yl)oxy]-4-(1-methylpyrazol-4-yl)butan-2-amine is sourced from PubChem (CID 103029724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).