1-[1-(4-chloro-3-fluorophenyl)-3,5-diethylpyrazol-4-yl]-N-methylmethanamine

C15H19ClFN3 — CID 107431150

IUPAC1-[1-(4-chloro-3-fluorophenyl)-3,5-diethylpyrazol-4-yl]-N-methylmethanamine
SMILESCCc1nn(-c2ccc(Cl)c(F)c2)c(CC)c1CNC
InChIInChI=1S/C15H19ClFN3/c1-4-14-11(9-18-3)15(5-2)20(19-14)10-6-7-12(16)13(17)8-10/h6-8,18H,4-5,9H2,1-3H3
InChIKeyCSEPJJMAZYNTCP-UHFFFAOYSA-N
MW295.79 g/mol
LogP3.51
Rot. Bonds5

About 1-[1-(4-chloro-3-fluorophenyl)-3,5-diethylpyrazol-4-yl]-N-methylmethanamine

1-[1-(4-chloro-3-fluorophenyl)-3,5-diethylpyrazol-4-yl]-N-methylmethanamine (PubChem CID 107431150) has the molecular formula C15H19ClFN3 and a molecular weight of 295.79 g/mol. Its IUPAC name is 1-[1-(4-chloro-3-fluorophenyl)-3,5-diethylpyrazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(4-chloro-3-fluorophenyl)-3,5-diethylpyrazol-4-yl]-N-methylmethanamine
PubChem CID107431150
Molecular FormulaC15H19ClFN3
Molecular Weight295.79 g/mol
Exact Mass295.13
IUPAC Name1-[1-(4-chloro-3-fluorophenyl)-3,5-diethylpyrazol-4-yl]-N-methylmethanamine
SMILESCCc1nn(-c2ccc(Cl)c(F)c2)c(CC)c1CNC
InChIInChI=1S/C15H19ClFN3/c1-4-14-11(9-18-3)15(5-2)20(19-14)10-6-7-12(16)13(17)8-10/h6-8,18H,4-5,9H2,1-3H3
InChIKeyCSEPJJMAZYNTCP-UHFFFAOYSA-N
XLogP3.51
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.79
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-diethyl-1-pyridin-4-ylpyrazol-4-yl)-N-methylmethanamine
CID 107431079
2-[3,5-diethyl-1-(3-fluorophenyl)pyrazol-4-yl]-N-methylethanamine
CID 79224863
1-[3,5-diethyl-1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine
CID 82697339
1-[1-(3,4-dichlorophenyl)-5-ethylpyrazol-4-yl]-N-methylmethanamine
CID 66441666
1-[3,5-diethyl-1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine
CID 82697882
methyl 2-[1-(4-chlorophenyl)-3,5-diethylpyrazol-4-yl]acetate
CID 79220409
N-[[1-(3,5-dimethylphenyl)-3,5-diethylpyrazol-4-yl]methyl]ethanamine
CID 107431063
1-(4-chloro-3-fluorophenyl)-3-ethylthieno[2,3-c]pyrazole-5-carboxylic acid
CID 79130721
N-[[1-(4-chloro-3-fluorophenyl)-5-ethylpyrazol-4-yl]methyl]-2-methoxyethanamine
CID 79132895
N-[[1-(4-bromophenyl)-3,5-diethylpyrazol-4-yl]methyl]cyclopropanamine
CID 107431113
N-[[1-(2-chlorophenyl)-3,5-diethylpyrazol-4-yl]methyl]propan-1-amine
CID 107431053
2-(4-chloro-3-fluorophenyl)-3-ethyl-1H-1,2,4-triazol-5-one
CID 115371962

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chloro-3-fluorophenyl)-3,5-diethylpyrazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(4-chloro-3-fluorophenyl)-3,5-diethylpyrazol-4-yl]-N-methylmethanamine (CID 107431150) is 1-[1-(4-chloro-3-fluorophenyl)-3,5-diethylpyrazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(4-chloro-3-fluorophenyl)-3,5-diethylpyrazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(4-chloro-3-fluorophenyl)-3,5-diethylpyrazol-4-yl]-N-methylmethanamine is CCc1nn(-c2ccc(Cl)c(F)c2)c(CC)c1CNC.
What is the InChIKey of 1-[1-(4-chloro-3-fluorophenyl)-3,5-diethylpyrazol-4-yl]-N-methylmethanamine?
The InChIKey is CSEPJJMAZYNTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFN3/c1-4-14-11(9-18-3)15(5-2)20(19-14)10-6-7-12(16)13(17)8-10/h6-8,18H,4-5,9H2,1-3H3.
What are the key properties of 1-[1-(4-chloro-3-fluorophenyl)-3,5-diethylpyrazol-4-yl]-N-methylmethanamine?
1-[1-(4-chloro-3-fluorophenyl)-3,5-diethylpyrazol-4-yl]-N-methylmethanamine has a molecular weight of 295.79 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chloro-3-fluorophenyl)-3,5-diethylpyrazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 107431150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).