3-[(1-ethylpyrazol-4-yl)methylamino]-4-methoxy-3-methylbutan-1-ol

C12H23N3O2 — CID 111824895

IUPAC3-[(1-ethylpyrazol-4-yl)methylamino]-4-methoxy-3-methylbutan-1-ol
SMILESCCn1cc(CNC(C)(CCO)COC)cn1
InChIInChI=1S/C12H23N3O2/c1-4-15-9-11(8-14-15)7-13-12(2,5-6-16)10-17-3/h8-9,13,16H,4-7,10H2,1-3H3
InChIKeyYLXNARDSCFPXAO-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.78
Rot. Bonds8

About 3-[(1-ethylpyrazol-4-yl)methylamino]-4-methoxy-3-methylbutan-1-ol

3-[(1-ethylpyrazol-4-yl)methylamino]-4-methoxy-3-methylbutan-1-ol (PubChem CID 111824895) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 3-[(1-ethylpyrazol-4-yl)methylamino]-4-methoxy-3-methylbutan-1-ol.

Molecular Properties

Compound Name3-[(1-ethylpyrazol-4-yl)methylamino]-4-methoxy-3-methylbutan-1-ol
PubChem CID111824895
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name3-[(1-ethylpyrazol-4-yl)methylamino]-4-methoxy-3-methylbutan-1-ol
SMILESCCn1cc(CNC(C)(CCO)COC)cn1
InChIInChI=1S/C12H23N3O2/c1-4-15-9-11(8-14-15)7-13-12(2,5-6-16)10-17-3/h8-9,13,16H,4-7,10H2,1-3H3
InChIKeyYLXNARDSCFPXAO-UHFFFAOYSA-N
XLogP0.78
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[(1-ethylpyrazol-4-yl)methylamino]-4-methoxy-3-methylbutan-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

3-[(1-ethylpyrazol-4-yl)methylamino]-3-methylbutanamide
CID 104666922
3-methyl-N-[(1-propylpyrazol-4-yl)methyl]pentan-3-amine
CID 115632424
2-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]propan-2-amine
CID 103700228
2-[4-[(1-ethylpyrazol-4-yl)methylamino]pyrazol-1-yl]ethanol
CID 122166813
2-ethyl-2-[(1-ethylpyrazol-4-yl)methylamino]butanoic acid
CID 79804266
2-[(1-ethylpyrazol-4-yl)methylamino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79789662
3-[(6-bromoimidazo[1,2-a]pyridin-3-yl)methylamino]-4-methoxy-3-methylbutan-1-ol
CID 111824989
1-[(1-ethylpyrazol-4-yl)methylamino]-2-methylbutan-2-ol
CID 63962764
3-[(1-ethylpyrazol-4-yl)methylamino]butan-1-ol
CID 78998031
1-(1-ethylpyrazol-4-yl)-N-(2,2,2-trifluoroethoxy)methanamine
CID 82721399
N-tert-butyl-3-(1-ethylpyrazol-4-yl)-2,2-dimethylpropan-1-amine
CID 62724346
N-[(1-ethylpyrazol-4-yl)methyl]-1-methoxy-3-methylbutan-2-amine
CID 65049198

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylpyrazol-4-yl)methylamino]-4-methoxy-3-methylbutan-1-ol?
The IUPAC name of 3-[(1-ethylpyrazol-4-yl)methylamino]-4-methoxy-3-methylbutan-1-ol (CID 111824895) is 3-[(1-ethylpyrazol-4-yl)methylamino]-4-methoxy-3-methylbutan-1-ol.
What is the SMILES notation for 3-[(1-ethylpyrazol-4-yl)methylamino]-4-methoxy-3-methylbutan-1-ol?
The canonical SMILES for 3-[(1-ethylpyrazol-4-yl)methylamino]-4-methoxy-3-methylbutan-1-ol is CCn1cc(CNC(C)(CCO)COC)cn1.
What is the InChIKey of 3-[(1-ethylpyrazol-4-yl)methylamino]-4-methoxy-3-methylbutan-1-ol?
The InChIKey is YLXNARDSCFPXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-4-15-9-11(8-14-15)7-13-12(2,5-6-16)10-17-3/h8-9,13,16H,4-7,10H2,1-3H3.
What are the key properties of 3-[(1-ethylpyrazol-4-yl)methylamino]-4-methoxy-3-methylbutan-1-ol?
3-[(1-ethylpyrazol-4-yl)methylamino]-4-methoxy-3-methylbutan-1-ol has a molecular weight of 241.33 g/mol, XLogP of 0.78, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylpyrazol-4-yl)methylamino]-4-methoxy-3-methylbutan-1-ol is sourced from PubChem (CID 111824895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).