1-(4-chloro-1-methylpyrazol-5-yl)-1-(3,5-dimethoxyphenyl)-N-methylmethanamine

C14H18ClN3O2 — CID 105046678

IUPAC1-(4-chloro-1-methylpyrazol-5-yl)-1-(3,5-dimethoxyphenyl)-N-methylmethanamine
SMILESCNC(c1cc(OC)cc(OC)c1)c1c(Cl)cnn1C
InChIInChI=1S/C14H18ClN3O2/c1-16-13(14-12(15)8-17-18(14)2)9-5-10(19-3)7-11(6-9)20-4/h5-8,13,16H,1-4H3
InChIKeyPPUJITXZFUQQNX-UHFFFAOYSA-N
MW295.77 g/mol
LogP2.40
Rot. Bonds5

About 1-(4-chloro-1-methylpyrazol-5-yl)-1-(3,5-dimethoxyphenyl)-N-methylmethanamine

1-(4-chloro-1-methylpyrazol-5-yl)-1-(3,5-dimethoxyphenyl)-N-methylmethanamine (PubChem CID 105046678) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is 1-(4-chloro-1-methylpyrazol-5-yl)-1-(3,5-dimethoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-chloro-1-methylpyrazol-5-yl)-1-(3,5-dimethoxyphenyl)-N-methylmethanamine
PubChem CID105046678
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC Name1-(4-chloro-1-methylpyrazol-5-yl)-1-(3,5-dimethoxyphenyl)-N-methylmethanamine
SMILESCNC(c1cc(OC)cc(OC)c1)c1c(Cl)cnn1C
InChIInChI=1S/C14H18ClN3O2/c1-16-13(14-12(15)8-17-18(14)2)9-5-10(19-3)7-11(6-9)20-4/h5-8,13,16H,1-4H3
InChIKeyPPUJITXZFUQQNX-UHFFFAOYSA-N
XLogP2.40
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-chloro-1-methylpyrazol-5-yl)-1-(3,5-dimethoxyphenyl)-N-methylmethanamine 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-(4-chloro-1-ethylpyrazol-5-yl)-1-(3,5-dimethoxyphenyl)-N-methylmethanamine
CID 105040778
1-(3-bromo-4-methoxyphenyl)-1-(4-chloro-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 105046686
[(4-chloro-1-methylpyrazol-5-yl)-(3-methoxyphenyl)methyl]hydrazine
CID 105191750
1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-1-(2-methyl-4-pyridinyl)methanamine
CID 106755909
1-(4-chloro-1-methylpyrazol-5-yl)-1-(4-ethylsulfanylphenyl)-N-methylmethanamine
CID 106849011
1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 114646478
1-(4-chloro-1-methylpyrazol-5-yl)-1-(2,5-dimethylpyrazol-3-yl)-N-methylmethanamine
CID 105186116
1-(4-chloro-3-methylphenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 105047226
1-(4-chloro-1-methylpyrazol-5-yl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 114648390
1-(3,5-dimethoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 43481801
1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine
CID 114660153
1-(3-chlorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 114647006

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)-1-(3,5-dimethoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)-1-(3,5-dimethoxyphenyl)-N-methylmethanamine (CID 105046678) is 1-(4-chloro-1-methylpyrazol-5-yl)-1-(3,5-dimethoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-chloro-1-methylpyrazol-5-yl)-1-(3,5-dimethoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-chloro-1-methylpyrazol-5-yl)-1-(3,5-dimethoxyphenyl)-N-methylmethanamine is CNC(c1cc(OC)cc(OC)c1)c1c(Cl)cnn1C.
What is the InChIKey of 1-(4-chloro-1-methylpyrazol-5-yl)-1-(3,5-dimethoxyphenyl)-N-methylmethanamine?
The InChIKey is PPUJITXZFUQQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c1-16-13(14-12(15)8-17-18(14)2)9-5-10(19-3)7-11(6-9)20-4/h5-8,13,16H,1-4H3.
What are the key properties of 1-(4-chloro-1-methylpyrazol-5-yl)-1-(3,5-dimethoxyphenyl)-N-methylmethanamine?
1-(4-chloro-1-methylpyrazol-5-yl)-1-(3,5-dimethoxyphenyl)-N-methylmethanamine has a molecular weight of 295.77 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-methylpyrazol-5-yl)-1-(3,5-dimethoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 105046678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).