[1-[(2-chloro-6-fluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanamine

C15H19ClFN3 — CID 82697868

IUPAC[1-[(2-chloro-6-fluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanamine
SMILESCCc1nn(Cc2c(F)cccc2Cl)c(CC)c1CN
InChIInChI=1S/C15H19ClFN3/c1-3-14-10(8-18)15(4-2)20(19-14)9-11-12(16)6-5-7-13(11)17/h5-7H,3-4,8-9,18H2,1-2H3
InChIKeyWDWMHIBLFMKZQC-UHFFFAOYSA-N
MW295.79 g/mol
LogP3.31
Rot. Bonds5

About [1-[(2-chloro-6-fluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanamine

[1-[(2-chloro-6-fluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanamine (PubChem CID 82697868) has the molecular formula C15H19ClFN3 and a molecular weight of 295.79 g/mol. Its IUPAC name is [1-[(2-chloro-6-fluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-[(2-chloro-6-fluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanamine
PubChem CID82697868
Molecular FormulaC15H19ClFN3
Molecular Weight295.79 g/mol
Exact Mass295.13
IUPAC Name[1-[(2-chloro-6-fluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanamine
SMILESCCc1nn(Cc2c(F)cccc2Cl)c(CC)c1CN
InChIInChI=1S/C15H19ClFN3/c1-3-14-10(8-18)15(4-2)20(19-14)9-11-12(16)6-5-7-13(11)17/h5-7H,3-4,8-9,18H2,1-2H3
InChIKeyWDWMHIBLFMKZQC-UHFFFAOYSA-N
XLogP3.31
TPSA43.84 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 ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(2-chloro-6-fluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol
CID 82698157
1-[(2-chloro-6-fluorophenyl)methyl]-3,5-diethyl-4-iodopyrazole
CID 82702486
[1-[(2-chloro-3-fluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol
CID 115984308
[3,5-diethyl-1-[(4-propan-2-ylphenyl)methyl]pyrazol-4-yl]methanamine
CID 82699760
[3,5-diethyl-1-[(5-fluoro-2-methylphenyl)methyl]pyrazol-4-yl]methanamine
CID 105375116
[1-[(2-bromo-5-fluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanamine
CID 82697692
[1-[(3,5-dimethylphenyl)methyl]-3,5-diethylpyrazol-4-yl]methanamine
CID 82697601
[1-[(2-chloro-6-fluorophenyl)methyl]-5-(trifluoromethyl)triazol-4-yl]methanamine
CID 94943519
2-[1-[(3,4-difluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanamine
CID 82926189
1-[3,5-diethyl-1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine
CID 82697882
1-[1-[(2-chloro-3-fluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanone
CID 115984290
1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethylpyrazole-4-carboxylic acid
CID 61496120

Frequently Asked Questions

What is the IUPAC name of [1-[(2-chloro-6-fluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanamine?
The IUPAC name of [1-[(2-chloro-6-fluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanamine (CID 82697868) is [1-[(2-chloro-6-fluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanamine.
What is the SMILES notation for [1-[(2-chloro-6-fluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanamine?
The canonical SMILES for [1-[(2-chloro-6-fluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanamine is CCc1nn(Cc2c(F)cccc2Cl)c(CC)c1CN.
What is the InChIKey of [1-[(2-chloro-6-fluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanamine?
The InChIKey is WDWMHIBLFMKZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFN3/c1-3-14-10(8-18)15(4-2)20(19-14)9-11-12(16)6-5-7-13(11)17/h5-7H,3-4,8-9,18H2,1-2H3.
What are the key properties of [1-[(2-chloro-6-fluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanamine?
[1-[(2-chloro-6-fluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanamine has a molecular weight of 295.79 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-chloro-6-fluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanamine is sourced from PubChem (CID 82697868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).