1-[1-(4-chloro-2-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine

C14H18ClN3 — CID 84760315

IUPAC1-[1-(4-chloro-2-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine
SMILESCNCc1c(C)nn(-c2ccc(Cl)cc2C)c1C
InChIInChI=1S/C14H18ClN3/c1-9-7-12(15)5-6-14(9)18-11(3)13(8-16-4)10(2)17-18/h5-7,16H,8H2,1-4H3
InChIKeyUEZGTJGNWIVXRG-UHFFFAOYSA-N
MW263.77 g/mol
LogP3.17
Rot. Bonds3

About 1-[1-(4-chloro-2-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine

1-[1-(4-chloro-2-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine (PubChem CID 84760315) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is 1-[1-(4-chloro-2-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(4-chloro-2-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine
PubChem CID84760315
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC Name1-[1-(4-chloro-2-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine
SMILESCNCc1c(C)nn(-c2ccc(Cl)cc2C)c1C
InChIInChI=1S/C14H18ClN3/c1-9-7-12(15)5-6-14(9)18-11(3)13(8-16-4)10(2)17-18/h5-7,16H,8H2,1-4H3
InChIKeyUEZGTJGNWIVXRG-UHFFFAOYSA-N
XLogP3.17
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chloro-2-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(4-chloro-2-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine (CID 84760315) is 1-[1-(4-chloro-2-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(4-chloro-2-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(4-chloro-2-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine is CNCc1c(C)nn(-c2ccc(Cl)cc2C)c1C.
What is the InChIKey of 1-[1-(4-chloro-2-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine?
The InChIKey is UEZGTJGNWIVXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c1-9-7-12(15)5-6-14(9)18-11(3)13(8-16-4)10(2)17-18/h5-7,16H,8H2,1-4H3.
What are the key properties of 1-[1-(4-chloro-2-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine?
1-[1-(4-chloro-2-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine has a molecular weight of 263.77 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chloro-2-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 84760315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).