1-(4-chlorophenoxy)-3-[(1,3-dimethylpyrazol-4-yl)methylamino]propan-2-ol

C15H20ClN3O2 — CID 115989757

IUPAC1-(4-chlorophenoxy)-3-[(1,3-dimethylpyrazol-4-yl)methylamino]propan-2-ol
SMILESCc1nn(C)cc1CNCC(O)COc1ccc(Cl)cc1
InChIInChI=1S/C15H20ClN3O2/c1-11-12(9-19(2)18-11)7-17-8-14(20)10-21-15-5-3-13(16)4-6-15/h3-6,9,14,17,20H,7-8,10H2,1-2H3
InChIKeyCHAFMUUGDYTNGQ-UHFFFAOYSA-N
MW309.80 g/mol
LogP1.91
Rot. Bonds7

About 1-(4-chlorophenoxy)-3-[(1,3-dimethylpyrazol-4-yl)methylamino]propan-2-ol

1-(4-chlorophenoxy)-3-[(1,3-dimethylpyrazol-4-yl)methylamino]propan-2-ol (PubChem CID 115989757) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is 1-(4-chlorophenoxy)-3-[(1,3-dimethylpyrazol-4-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-(4-chlorophenoxy)-3-[(1,3-dimethylpyrazol-4-yl)methylamino]propan-2-ol
PubChem CID115989757
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC Name1-(4-chlorophenoxy)-3-[(1,3-dimethylpyrazol-4-yl)methylamino]propan-2-ol
SMILESCc1nn(C)cc1CNCC(O)COc1ccc(Cl)cc1
InChIInChI=1S/C15H20ClN3O2/c1-11-12(9-19(2)18-11)7-17-8-14(20)10-21-15-5-3-13(16)4-6-15/h3-6,9,14,17,20H,7-8,10H2,1-2H3
InChIKeyCHAFMUUGDYTNGQ-UHFFFAOYSA-N
XLogP1.91
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(4-chlorophenoxy)-3-[(1,3-dimethylpyrazol-4-yl)methylamino]propan-2-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

1-[(1,3-dimethylpyrazol-4-yl)methylamino]-3-(4-fluorophenoxy)propan-2-ol
CID 109480038
1-(3,4-difluorophenoxy)-3-[(1,3-dimethylpyrazol-4-yl)methylamino]propan-2-ol
CID 109481916
1-[(1,3-dimethylpyrazol-4-yl)methylamino]-3-(2-methylpropoxy)propan-2-ol
CID 109479903
1-(4-chlorophenoxy)-3-[(3-methyl-4-pyridinyl)methylamino]propan-2-ol
CID 114699701
1-[(1,3-dimethylpyrazol-4-yl)methylamino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106990390
1-(4-chlorophenoxy)-3-[(2-chlorophenyl)methylamino]propan-2-ol
CID 60635463
1-(4-chlorophenoxy)-3-[(2-fluorophenyl)methylamino]propan-2-ol
CID 60632821
1-(4-chlorophenoxy)-3-[(2-methylpyrimidin-4-yl)methylamino]propan-2-ol
CID 60970538
1-(2,6-dichlorophenyl)-2-[(1,3-dimethylpyrazol-4-yl)methylamino]ethanol
CID 109482088
(2R)-1-(4-chlorophenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 39359453
(2S)-1-(4-chlorophenoxy)-3-[2-(4-methylpyrazol-1-yl)ethylamino]propan-2-ol
CID 95349657
1-(4-chlorophenoxy)-3-[(1-methylpyrazol-4-yl)amino]propan-2-ol
CID 79770932

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenoxy)-3-[(1,3-dimethylpyrazol-4-yl)methylamino]propan-2-ol?
The IUPAC name of 1-(4-chlorophenoxy)-3-[(1,3-dimethylpyrazol-4-yl)methylamino]propan-2-ol (CID 115989757) is 1-(4-chlorophenoxy)-3-[(1,3-dimethylpyrazol-4-yl)methylamino]propan-2-ol.
What is the SMILES notation for 1-(4-chlorophenoxy)-3-[(1,3-dimethylpyrazol-4-yl)methylamino]propan-2-ol?
The canonical SMILES for 1-(4-chlorophenoxy)-3-[(1,3-dimethylpyrazol-4-yl)methylamino]propan-2-ol is Cc1nn(C)cc1CNCC(O)COc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenoxy)-3-[(1,3-dimethylpyrazol-4-yl)methylamino]propan-2-ol?
The InChIKey is CHAFMUUGDYTNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c1-11-12(9-19(2)18-11)7-17-8-14(20)10-21-15-5-3-13(16)4-6-15/h3-6,9,14,17,20H,7-8,10H2,1-2H3.
What are the key properties of 1-(4-chlorophenoxy)-3-[(1,3-dimethylpyrazol-4-yl)methylamino]propan-2-ol?
1-(4-chlorophenoxy)-3-[(1,3-dimethylpyrazol-4-yl)methylamino]propan-2-ol has a molecular weight of 309.80 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenoxy)-3-[(1,3-dimethylpyrazol-4-yl)methylamino]propan-2-ol is sourced from PubChem (CID 115989757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).