[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-ethylphenyl)methanamine

C15H20ClN3O — CID 114646633

IUPAC[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-ethylphenyl)methanamine
SMILESCCc1ccc(C(N)c2c(Cl)cnn2CCOC)cc1
InChIInChI=1S/C15H20ClN3O/c1-3-11-4-6-12(7-5-11)14(17)15-13(16)10-18-19(15)8-9-20-2/h4-7,10,14H,3,8-9,17H2,1-2H3
InChIKeyATVAXYQASYMANT-UHFFFAOYSA-N
MW293.80 g/mol
LogP2.79
Rot. Bonds6

About [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-ethylphenyl)methanamine

[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-ethylphenyl)methanamine (PubChem CID 114646633) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-ethylphenyl)methanamine.

Molecular Properties

Compound Name[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-ethylphenyl)methanamine
PubChem CID114646633
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC Name[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-ethylphenyl)methanamine
SMILESCCc1ccc(C(N)c2c(Cl)cnn2CCOC)cc1
InChIInChI=1S/C15H20ClN3O/c1-3-11-4-6-12(7-5-11)14(17)15-13(16)10-18-19(15)8-9-20-2/h4-7,10,14H,3,8-9,17H2,1-2H3
InChIKeyATVAXYQASYMANT-UHFFFAOYSA-N
XLogP2.79
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(3,4-difluorophenyl)methanamine
CID 114646619
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-ethylphenyl)methanamine
CID 114646624
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-methoxy-3-methylphenyl)methanamine
CID 114659332
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(3,5-dibromophenyl)methanamine
CID 107977808
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(3-methylphenyl)methanamine
CID 114646785
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2,6-dichlorophenyl)methanamine
CID 105054471
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(3-chloro-5-methylphenyl)methanamine
CID 105054719
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(5-methylthiophen-2-yl)methanamine
CID 105054688
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-[4-(methoxymethyl)phenyl]methanol
CID 114636385
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-ethylthiadiazol-5-yl)methanamine
CID 105189938
(3-bromo-5-methylphenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanamine
CID 105054566
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(4-fluorophenyl)ethanamine
CID 114646675

Frequently Asked Questions

What is the IUPAC name of [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-ethylphenyl)methanamine?
The IUPAC name of [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-ethylphenyl)methanamine (CID 114646633) is [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-ethylphenyl)methanamine.
What is the SMILES notation for [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-ethylphenyl)methanamine?
The canonical SMILES for [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-ethylphenyl)methanamine is CCc1ccc(C(N)c2c(Cl)cnn2CCOC)cc1.
What is the InChIKey of [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-ethylphenyl)methanamine?
The InChIKey is ATVAXYQASYMANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O/c1-3-11-4-6-12(7-5-11)14(17)15-13(16)10-18-19(15)8-9-20-2/h4-7,10,14H,3,8-9,17H2,1-2H3.
What are the key properties of [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-ethylphenyl)methanamine?
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-ethylphenyl)methanamine has a molecular weight of 293.80 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-ethylphenyl)methanamine is sourced from PubChem (CID 114646633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).