1-(4-chloro-1-ethylpyrazol-5-yl)-1-(2,4-dimethoxyphenyl)-N-methylmethanamine

C15H20ClN3O2 — CID 105040438

IUPAC1-(4-chloro-1-ethylpyrazol-5-yl)-1-(2,4-dimethoxyphenyl)-N-methylmethanamine
SMILESCCn1ncc(Cl)c1C(NC)c1ccc(OC)cc1OC
InChIInChI=1S/C15H20ClN3O2/c1-5-19-15(12(16)9-18-19)14(17-2)11-7-6-10(20-3)8-13(11)21-4/h6-9,14,17H,5H2,1-4H3
InChIKeyFOEINNUDCHJLAT-UHFFFAOYSA-N
MW309.80 g/mol
LogP2.88
Rot. Bonds6

About 1-(4-chloro-1-ethylpyrazol-5-yl)-1-(2,4-dimethoxyphenyl)-N-methylmethanamine

1-(4-chloro-1-ethylpyrazol-5-yl)-1-(2,4-dimethoxyphenyl)-N-methylmethanamine (PubChem CID 105040438) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is 1-(4-chloro-1-ethylpyrazol-5-yl)-1-(2,4-dimethoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-chloro-1-ethylpyrazol-5-yl)-1-(2,4-dimethoxyphenyl)-N-methylmethanamine
PubChem CID105040438
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC Name1-(4-chloro-1-ethylpyrazol-5-yl)-1-(2,4-dimethoxyphenyl)-N-methylmethanamine
SMILESCCn1ncc(Cl)c1C(NC)c1ccc(OC)cc1OC
InChIInChI=1S/C15H20ClN3O2/c1-5-19-15(12(16)9-18-19)14(17-2)11-7-6-10(20-3)8-13(11)21-4/h6-9,14,17H,5H2,1-4H3
InChIKeyFOEINNUDCHJLAT-UHFFFAOYSA-N
XLogP2.88
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(4-chloro-1-ethylpyrazol-5-yl)-(4-chloro-2-methoxyphenyl)methyl]hydrazine
CID 105336455
1-(4-chloro-1-ethylpyrazol-5-yl)-1-(3,5-dimethoxyphenyl)-N-methylmethanamine
CID 105040778
1-(4-bromo-2-methoxyphenyl)-1-(4-chloro-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 105042556
1-(4-bromo-1-ethylpyrazol-5-yl)-1-(2-bromo-5-methoxyphenyl)-N-methylmethanamine
CID 105183041
1-(5-bromo-2-chlorophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylmethanamine
CID 105048031
(2,4-dimethoxyphenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine
CID 105047931
(2,4-dimethoxyphenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 114634383
1-(5-chloro-2-methoxyphenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylmethanamine
CID 105047783
1-(4-chloro-1-ethylpyrazol-5-yl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
CID 114659063
1-(4-chloro-1-ethylpyrazol-5-yl)-1-(4-chlorophenyl)-N-methylmethanamine
CID 114646347
[(4-chloro-1-ethylpyrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]hydrazine
CID 105192162
1-(4-chloro-1-propylpyrazol-5-yl)-1-(3-methoxy-4-methylphenyl)-N-methylmethanamine
CID 105042594

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-ethylpyrazol-5-yl)-1-(2,4-dimethoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(4-chloro-1-ethylpyrazol-5-yl)-1-(2,4-dimethoxyphenyl)-N-methylmethanamine (CID 105040438) is 1-(4-chloro-1-ethylpyrazol-5-yl)-1-(2,4-dimethoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-chloro-1-ethylpyrazol-5-yl)-1-(2,4-dimethoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-chloro-1-ethylpyrazol-5-yl)-1-(2,4-dimethoxyphenyl)-N-methylmethanamine is CCn1ncc(Cl)c1C(NC)c1ccc(OC)cc1OC.
What is the InChIKey of 1-(4-chloro-1-ethylpyrazol-5-yl)-1-(2,4-dimethoxyphenyl)-N-methylmethanamine?
The InChIKey is FOEINNUDCHJLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c1-5-19-15(12(16)9-18-19)14(17-2)11-7-6-10(20-3)8-13(11)21-4/h6-9,14,17H,5H2,1-4H3.
What are the key properties of 1-(4-chloro-1-ethylpyrazol-5-yl)-1-(2,4-dimethoxyphenyl)-N-methylmethanamine?
1-(4-chloro-1-ethylpyrazol-5-yl)-1-(2,4-dimethoxyphenyl)-N-methylmethanamine has a molecular weight of 309.80 g/mol, XLogP of 2.88, 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-ethylpyrazol-5-yl)-1-(2,4-dimethoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 105040438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).