1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine

C15H19ClFN3O — CID 105054570

IUPAC1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
SMILESCNC(c1cccc(C)c1F)c1c(Cl)cnn1CCOC
InChIInChI=1S/C15H19ClFN3O/c1-10-5-4-6-11(13(10)17)14(18-2)15-12(16)9-19-20(15)7-8-21-3/h4-6,9,14,18H,7-8H2,1-3H3
InChIKeyJDNJOQDBDDMQNR-UHFFFAOYSA-N
MW311.79 g/mol
LogP2.94
Rot. Bonds6

About 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine

1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine (PubChem CID 105054570) has the molecular formula C15H19ClFN3O and a molecular weight of 311.79 g/mol. Its IUPAC name is 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
PubChem CID105054570
Molecular FormulaC15H19ClFN3O
Molecular Weight311.79 g/mol
Exact Mass311.12
IUPAC Name1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
SMILESCNC(c1cccc(C)c1F)c1c(Cl)cnn1CCOC
InChIInChI=1S/C15H19ClFN3O/c1-10-5-4-6-11(13(10)17)14(18-2)15-12(16)9-19-20(15)7-8-21-3/h4-6,9,14,18H,7-8H2,1-3H3
InChIKeyJDNJOQDBDDMQNR-UHFFFAOYSA-N
XLogP2.94
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2,3-dichlorophenyl)-N-methylmethanamine
CID 105054587
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
CID 105041760
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2,5-dimethylphenyl)-N-methylmethanamine
CID 105054590
1-(2-bromo-5-fluorophenyl)-1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-methylmethanamine
CID 105054492
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2-methylphenyl)methanol
CID 114634869
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(3-chloro-2-pyridinyl)-N-methylmethanamine
CID 103444104
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine
CID 107969315
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-methyl-1-pyridazin-4-ylmethanamine
CID 105190055
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(3,5-dichloro-2-pyridinyl)-N-methylmethanamine
CID 114657954
[(2-bromo-6-fluorophenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]hydrazine
CID 105280354
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-fluoro-2-methylphenyl)methanol
CID 114635371
1-(4-chloro-1-ethylpyrazol-5-yl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
CID 114659063

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine?
The IUPAC name of 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine (CID 105054570) is 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine is CNC(c1cccc(C)c1F)c1c(Cl)cnn1CCOC.
What is the InChIKey of 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine?
The InChIKey is JDNJOQDBDDMQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFN3O/c1-10-5-4-6-11(13(10)17)14(18-2)15-12(16)9-19-20(15)7-8-21-3/h4-6,9,14,18H,7-8H2,1-3H3.
What are the key properties of 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine?
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine has a molecular weight of 311.79 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine is sourced from PubChem (CID 105054570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).