3-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-methyl-1-phenylpropan-1-amine

C16H22ClN3O — CID 114664422

IUPAC3-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-methyl-1-phenylpropan-1-amine
SMILESCNC(CCc1c(Cl)cnn1CCOC)c1ccccc1
InChIInChI=1S/C16H22ClN3O/c1-18-15(13-6-4-3-5-7-13)8-9-16-14(17)12-19-20(16)10-11-21-2/h3-7,12,15,18H,8-11H2,1-2H3
InChIKeyPPECUZQNOZKSMY-UHFFFAOYSA-N
MW307.82 g/mol
LogP3.08
Rot. Bonds8

About 3-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-methyl-1-phenylpropan-1-amine

3-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-methyl-1-phenylpropan-1-amine (PubChem CID 114664422) has the molecular formula C16H22ClN3O and a molecular weight of 307.82 g/mol. Its IUPAC name is 3-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-methyl-1-phenylpropan-1-amine.

Molecular Properties

Compound Name3-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-methyl-1-phenylpropan-1-amine
PubChem CID114664422
Molecular FormulaC16H22ClN3O
Molecular Weight307.82 g/mol
Exact Mass307.15
IUPAC Name3-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-methyl-1-phenylpropan-1-amine
SMILESCNC(CCc1c(Cl)cnn1CCOC)c1ccccc1
InChIInChI=1S/C16H22ClN3O/c1-18-15(13-6-4-3-5-7-13)8-9-16-14(17)12-19-20(16)10-11-21-2/h3-7,12,15,18H,8-11H2,1-2H3
InChIKeyPPECUZQNOZKSMY-UHFFFAOYSA-N
XLogP3.08
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.82
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-methyl-1-phenylpropan-1-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-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-phenylpropan-1-ol
CID 114665024
3-(4-chloro-1-propylpyrazol-5-yl)-N-ethyl-1-phenylpropan-1-amine
CID 114664429
[1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3-phenylpropyl]hydrazine
CID 105205637
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-ethyl-4-methylpentan-3-amine
CID 114664314
2-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]ethanol
CID 114662418
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-methylnonan-1-amine
CID 105054424
N'-(3-methoxypropyl)-N,N'-dimethyl-1-phenylpropane-1,3-diamine
CID 55140895
3-(3,4-dichlorophenyl)-N-methyl-1-phenylpropan-1-amine
CID 63400103
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-methyl-2-propylsulfanylethanamine
CID 114653578
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2,3-dichlorophenyl)-N-methylmethanamine
CID 105054587
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(3-methylphenyl)methanamine
CID 114646785
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-methyl-1-pyridazin-4-ylmethanamine
CID 105190055

Frequently Asked Questions

What is the IUPAC name of 3-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-methyl-1-phenylpropan-1-amine?
The IUPAC name of 3-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-methyl-1-phenylpropan-1-amine (CID 114664422) is 3-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-methyl-1-phenylpropan-1-amine.
What is the SMILES notation for 3-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-methyl-1-phenylpropan-1-amine?
The canonical SMILES for 3-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-methyl-1-phenylpropan-1-amine is CNC(CCc1c(Cl)cnn1CCOC)c1ccccc1.
What is the InChIKey of 3-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-methyl-1-phenylpropan-1-amine?
The InChIKey is PPECUZQNOZKSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O/c1-18-15(13-6-4-3-5-7-13)8-9-16-14(17)12-19-20(16)10-11-21-2/h3-7,12,15,18H,8-11H2,1-2H3.
What are the key properties of 3-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-methyl-1-phenylpropan-1-amine?
3-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-methyl-1-phenylpropan-1-amine has a molecular weight of 307.82 g/mol, XLogP of 3.08, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-methyl-1-phenylpropan-1-amine is sourced from PubChem (CID 114664422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).