1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(3,5-dichloro-2-pyridinyl)-N-methylmethanamine

C13H15Cl3N4O — CID 114657954

IUPAC1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(3,5-dichloro-2-pyridinyl)-N-methylmethanamine
SMILESCNC(c1ncc(Cl)cc1Cl)c1c(Cl)cnn1CCOC
InChIInChI=1S/C13H15Cl3N4O/c1-17-12(11-9(15)5-8(14)6-18-11)13-10(16)7-19-20(13)3-4-21-2/h5-7,12,17H,3-4H2,1-2H3
InChIKeyYAULWIJQESEYIJ-UHFFFAOYSA-N
MW349.65 g/mol
LogP3.19
Rot. Bonds6

About 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(3,5-dichloro-2-pyridinyl)-N-methylmethanamine

1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(3,5-dichloro-2-pyridinyl)-N-methylmethanamine (PubChem CID 114657954) has the molecular formula C13H15Cl3N4O and a molecular weight of 349.65 g/mol. Its IUPAC name is 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(3,5-dichloro-2-pyridinyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(3,5-dichloro-2-pyridinyl)-N-methylmethanamine
PubChem CID114657954
Molecular FormulaC13H15Cl3N4O
Molecular Weight349.65 g/mol
Exact Mass348.03
IUPAC Name1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(3,5-dichloro-2-pyridinyl)-N-methylmethanamine
SMILESCNC(c1ncc(Cl)cc1Cl)c1c(Cl)cnn1CCOC
InChIInChI=1S/C13H15Cl3N4O/c1-17-12(11-9(15)5-8(14)6-18-11)13-10(16)7-19-20(13)3-4-21-2/h5-7,12,17H,3-4H2,1-2H3
InChIKeyYAULWIJQESEYIJ-UHFFFAOYSA-N
XLogP3.19
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.65
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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]-1-(2,5-dimethylphenyl)-N-methylmethanamine
CID 105054590
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2,3-dichlorophenyl)-N-methylmethanamine
CID 105054587
1-(2-bromo-5-fluorophenyl)-1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-methylmethanamine
CID 105054492
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-(2-fluoro-3-methylphenyl)-N-methylmethanamine
CID 105054570
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-methylnonan-1-amine
CID 105054424
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(3,5-dimethyl-2-pyridinyl)methanol
CID 114645430
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethyl-2-methoxybutan-1-amine
CID 114661699
1-(4-chloro-1-ethylpyrazol-5-yl)-1-(3,5-dimethoxyphenyl)-N-methylmethanamine
CID 105040778
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-methyl-2-propylsulfanylethanamine
CID 114653578

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(3,5-dichloro-2-pyridinyl)-N-methylmethanamine?
The IUPAC name of 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(3,5-dichloro-2-pyridinyl)-N-methylmethanamine (CID 114657954) is 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(3,5-dichloro-2-pyridinyl)-N-methylmethanamine.
What is the SMILES notation for 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(3,5-dichloro-2-pyridinyl)-N-methylmethanamine?
The canonical SMILES for 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(3,5-dichloro-2-pyridinyl)-N-methylmethanamine is CNC(c1ncc(Cl)cc1Cl)c1c(Cl)cnn1CCOC.
What is the InChIKey of 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(3,5-dichloro-2-pyridinyl)-N-methylmethanamine?
The InChIKey is YAULWIJQESEYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl3N4O/c1-17-12(11-9(15)5-8(14)6-18-11)13-10(16)7-19-20(13)3-4-21-2/h5-7,12,17H,3-4H2,1-2H3.
What are the key properties of 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(3,5-dichloro-2-pyridinyl)-N-methylmethanamine?
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(3,5-dichloro-2-pyridinyl)-N-methylmethanamine has a molecular weight of 349.65 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(3,5-dichloro-2-pyridinyl)-N-methylmethanamine is sourced from PubChem (CID 114657954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).