3-(3-chloro-5-ethyl-2,4-dimethoxyphenyl)-1-methylpyrazol-5-amine

C14H18ClN3O2 — CID 117476523

IUPAC3-(3-chloro-5-ethyl-2,4-dimethoxyphenyl)-1-methylpyrazol-5-amine
SMILESCCc1cc(-c2cc(N)n(C)n2)c(OC)c(Cl)c1OC
InChIInChI=1S/C14H18ClN3O2/c1-5-8-6-9(10-7-11(16)18(2)17-10)14(20-4)12(15)13(8)19-3/h6-7H,5,16H2,1-4H3
InChIKeyGDGCKJPIYWXHCV-UHFFFAOYSA-N
MW295.77 g/mol
LogP2.90
Rot. Bonds4

About 3-(3-chloro-5-ethyl-2,4-dimethoxyphenyl)-1-methylpyrazol-5-amine

3-(3-chloro-5-ethyl-2,4-dimethoxyphenyl)-1-methylpyrazol-5-amine (PubChem CID 117476523) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is 3-(3-chloro-5-ethyl-2,4-dimethoxyphenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-(3-chloro-5-ethyl-2,4-dimethoxyphenyl)-1-methylpyrazol-5-amine
PubChem CID117476523
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC Name3-(3-chloro-5-ethyl-2,4-dimethoxyphenyl)-1-methylpyrazol-5-amine
SMILESCCc1cc(-c2cc(N)n(C)n2)c(OC)c(Cl)c1OC
InChIInChI=1S/C14H18ClN3O2/c1-5-8-6-9(10-7-11(16)18(2)17-10)14(20-4)12(15)13(8)19-3/h6-7H,5,16H2,1-4H3
InChIKeyGDGCKJPIYWXHCV-UHFFFAOYSA-N
XLogP2.90
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-chloro-5-ethyl-2-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117418522
4-(3-chloro-5-ethyl-2,4-dimethoxyphenyl)-1-methylpyrazol-5-amine
CID 117476513
3-(5-chloro-2-ethyl-4-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117418518
3-(4-ethyl-2,5-dimethoxyphenyl)-1-methylpyrazol-5-amine
CID 117407814
3-(5-ethyl-4-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117375997
4-(3-chloro-5-ethyl-2,4-dimethoxyphenyl)-1H-pyrazol-5-amine
CID 117452228
3-(3-bromo-5-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117482979
3-(6-chloro-2-ethyl-3,4-dimethoxyphenyl)-1-methylpyrazol-5-amine
CID 117476516
3-(2-chloro-3-methoxy-5-methylphenyl)-1-methylpyrazol-5-amine
CID 117382584
3-(5-amino-1-methylpyrazol-3-yl)-4,5-dimethoxyphenol
CID 117375802
3-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
CID 117416917
methyl 3-(5-amino-1-methylpyrazol-3-yl)-4,5-dimethoxybenzoate
CID 117470471

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-5-ethyl-2,4-dimethoxyphenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 3-(3-chloro-5-ethyl-2,4-dimethoxyphenyl)-1-methylpyrazol-5-amine (CID 117476523) is 3-(3-chloro-5-ethyl-2,4-dimethoxyphenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-(3-chloro-5-ethyl-2,4-dimethoxyphenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 3-(3-chloro-5-ethyl-2,4-dimethoxyphenyl)-1-methylpyrazol-5-amine is CCc1cc(-c2cc(N)n(C)n2)c(OC)c(Cl)c1OC.
What is the InChIKey of 3-(3-chloro-5-ethyl-2,4-dimethoxyphenyl)-1-methylpyrazol-5-amine?
The InChIKey is GDGCKJPIYWXHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c1-5-8-6-9(10-7-11(16)18(2)17-10)14(20-4)12(15)13(8)19-3/h6-7H,5,16H2,1-4H3.
What are the key properties of 3-(3-chloro-5-ethyl-2,4-dimethoxyphenyl)-1-methylpyrazol-5-amine?
3-(3-chloro-5-ethyl-2,4-dimethoxyphenyl)-1-methylpyrazol-5-amine has a molecular weight of 295.77 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-5-ethyl-2,4-dimethoxyphenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 117476523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).