3-methyl-3-[1-(1-methylpyrazol-4-yl)propylamino]butan-1-ol

C12H23N3O — CID 115920575

IUPAC3-methyl-3-[1-(1-methylpyrazol-4-yl)propylamino]butan-1-ol
SMILESCCC(NC(C)(C)CCO)c1cnn(C)c1
InChIInChI=1S/C12H23N3O/c1-5-11(10-8-13-15(4)9-10)14-12(2,3)6-7-16/h8-9,11,14,16H,5-7H2,1-4H3
InChIKeyQZEWYNDPDBCJEE-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.62
Rot. Bonds6

About 3-methyl-3-[1-(1-methylpyrazol-4-yl)propylamino]butan-1-ol

3-methyl-3-[1-(1-methylpyrazol-4-yl)propylamino]butan-1-ol (PubChem CID 115920575) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 3-methyl-3-[1-(1-methylpyrazol-4-yl)propylamino]butan-1-ol.

Molecular Properties

Compound Name3-methyl-3-[1-(1-methylpyrazol-4-yl)propylamino]butan-1-ol
PubChem CID115920575
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name3-methyl-3-[1-(1-methylpyrazol-4-yl)propylamino]butan-1-ol
SMILESCCC(NC(C)(C)CCO)c1cnn(C)c1
InChIInChI=1S/C12H23N3O/c1-5-11(10-8-13-15(4)9-10)14-12(2,3)6-7-16/h8-9,11,14,16H,5-7H2,1-4H3
InChIKeyQZEWYNDPDBCJEE-UHFFFAOYSA-N
XLogP1.62
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-methyl-3-[1-(1-methylpyrazol-4-yl)propylamino]butan-1-ol 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

N-tert-butylsulfanyl-1-(1-methylpyrazol-4-yl)propan-1-amine
CID 170449243
N-[1-(1-methylpyrazol-4-yl)propyl]pentan-3-amine
CID 115704994
3,3,3-trifluoro-N-[1-(1-methylpyrazol-4-yl)propyl]propan-1-amine
CID 115727211
1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 43497248
2-(2-methylbutylamino)-2-(1-methylpyrazol-4-yl)ethanol
CID 115888089
N-ethyl-4,4-dimethyl-1-(1-methylpyrazol-4-yl)pentan-1-amine
CID 65195392
N-[1-(1-methylpyrazol-4-yl)propyl]but-3-en-2-amine
CID 115727790
4,4-dimethyl-1-(1-methylpyrazol-4-yl)-N-propylpentan-1-amine
CID 65200553
3-[1-(1-methylpyrazol-4-yl)propylamino]butanamide
CID 115867794
N-[1-(1-methylpyrazol-4-yl)propyl]cyclohex-2-en-1-amine
CID 115893687
methyl 2-(1-methylpyrazol-4-yl)butanoate
CID 62395222
N-ethyl-2,2-dimethyl-1-(1-methylpyrazol-4-yl)propan-1-amine
CID 43492399

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[1-(1-methylpyrazol-4-yl)propylamino]butan-1-ol?
The IUPAC name of 3-methyl-3-[1-(1-methylpyrazol-4-yl)propylamino]butan-1-ol (CID 115920575) is 3-methyl-3-[1-(1-methylpyrazol-4-yl)propylamino]butan-1-ol.
What is the SMILES notation for 3-methyl-3-[1-(1-methylpyrazol-4-yl)propylamino]butan-1-ol?
The canonical SMILES for 3-methyl-3-[1-(1-methylpyrazol-4-yl)propylamino]butan-1-ol is CCC(NC(C)(C)CCO)c1cnn(C)c1.
What is the InChIKey of 3-methyl-3-[1-(1-methylpyrazol-4-yl)propylamino]butan-1-ol?
The InChIKey is QZEWYNDPDBCJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-5-11(10-8-13-15(4)9-10)14-12(2,3)6-7-16/h8-9,11,14,16H,5-7H2,1-4H3.
What are the key properties of 3-methyl-3-[1-(1-methylpyrazol-4-yl)propylamino]butan-1-ol?
3-methyl-3-[1-(1-methylpyrazol-4-yl)propylamino]butan-1-ol has a molecular weight of 225.34 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[1-(1-methylpyrazol-4-yl)propylamino]butan-1-ol is sourced from PubChem (CID 115920575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).