1-[3-chloro-2-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]butan-2-amine

C16H22ClN3O — CID 115958488

IUPAC1-[3-chloro-2-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]butan-2-amine
SMILESCCC(N)Cc1cccc(Cl)c1OCc1cc(C)nn1C
InChIInChI=1S/C16H22ClN3O/c1-4-13(18)9-12-6-5-7-15(17)16(12)21-10-14-8-11(2)19-20(14)3/h5-8,13H,4,9-10,18H2,1-3H3
InChIKeyVFSGKBZKJILHTD-UHFFFAOYSA-N
MW307.83 g/mol
LogP3.24
Rot. Bonds6

About 1-[3-chloro-2-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]butan-2-amine

1-[3-chloro-2-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]butan-2-amine (PubChem CID 115958488) has the molecular formula C16H22ClN3O and a molecular weight of 307.83 g/mol. Its IUPAC name is 1-[3-chloro-2-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[3-chloro-2-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]butan-2-amine
PubChem CID115958488
Molecular FormulaC16H22ClN3O
Molecular Weight307.83 g/mol
Exact Mass307.15
IUPAC Name1-[3-chloro-2-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]butan-2-amine
SMILESCCC(N)Cc1cccc(Cl)c1OCc1cc(C)nn1C
InChIInChI=1S/C16H22ClN3O/c1-4-13(18)9-12-6-5-7-15(17)16(12)21-10-14-8-11(2)19-20(14)3/h5-8,13H,4,9-10,18H2,1-3H3
InChIKeyVFSGKBZKJILHTD-UHFFFAOYSA-N
XLogP3.24
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.83
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-chloro-2-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]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

1-[3-chloro-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]butan-2-amine
CID 102878225
1-[3-chloro-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]butan-2-amine
CID 115982371
4-[[2-(2-aminobutyl)-6-chlorophenoxy]methyl]phenol
CID 115958442
1-[3-chloro-2-[(4-iodophenyl)methoxy]phenyl]butan-2-amine
CID 115958466
1-[3-chloro-2-(2,2-difluoroethoxy)phenyl]butan-2-amine
CID 112615794
2-[2-(2-aminobutyl)-6-chlorophenoxy]acetonitrile
CID 112615753
1-[3-chloro-2-(3-methoxy-3-methylbutoxy)phenyl]butan-2-amine
CID 103036299
1-[3-chloro-2-(2-methylidenebutoxy)phenyl]butan-2-amine
CID 112615747
N-[[3-chloro-2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]phenyl]methyl]ethanamine
CID 115952967
5-[2-(2-aminobutyl)-6-chlorophenoxy]pentanenitrile
CID 112615742
N-[[2-[(2,5-dimethylpyrazol-3-yl)methoxy]-3-methylphenyl]methyl]propan-2-amine
CID 115954077
[2-chloro-4-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]methanamine
CID 102723852

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-2-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]butan-2-amine?
The IUPAC name of 1-[3-chloro-2-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]butan-2-amine (CID 115958488) is 1-[3-chloro-2-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]butan-2-amine.
What is the SMILES notation for 1-[3-chloro-2-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]butan-2-amine?
The canonical SMILES for 1-[3-chloro-2-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]butan-2-amine is CCC(N)Cc1cccc(Cl)c1OCc1cc(C)nn1C.
What is the InChIKey of 1-[3-chloro-2-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]butan-2-amine?
The InChIKey is VFSGKBZKJILHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O/c1-4-13(18)9-12-6-5-7-15(17)16(12)21-10-14-8-11(2)19-20(14)3/h5-8,13H,4,9-10,18H2,1-3H3.
What are the key properties of 1-[3-chloro-2-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]butan-2-amine?
1-[3-chloro-2-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]butan-2-amine has a molecular weight of 307.83 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-2-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]butan-2-amine is sourced from PubChem (CID 115958488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).