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

C14H18ClN3O2 — CID 117476513

IUPAC4-(3-chloro-5-ethyl-2,4-dimethoxyphenyl)-1-methylpyrazol-5-amine
SMILESCCc1cc(-c2cnn(C)c2N)c(OC)c(Cl)c1OC
InChIInChI=1S/C14H18ClN3O2/c1-5-8-6-9(10-7-17-18(2)14(10)16)13(20-4)11(15)12(8)19-3/h6-7H,5,16H2,1-4H3
InChIKeyKGBNNMMXDXPWNU-UHFFFAOYSA-N
MW295.77 g/mol
LogP2.90
Rot. Bonds4

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

4-(3-chloro-5-ethyl-2,4-dimethoxyphenyl)-1-methylpyrazol-5-amine (PubChem CID 117476513) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is 4-(3-chloro-5-ethyl-2,4-dimethoxyphenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-(3-chloro-5-ethyl-2,4-dimethoxyphenyl)-1-methylpyrazol-5-amine
PubChem CID117476513
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC Name4-(3-chloro-5-ethyl-2,4-dimethoxyphenyl)-1-methylpyrazol-5-amine
SMILESCCc1cc(-c2cnn(C)c2N)c(OC)c(Cl)c1OC
InChIInChI=1S/C14H18ClN3O2/c1-5-8-6-9(10-7-17-18(2)14(10)16)13(20-4)11(15)12(8)19-3/h6-7H,5,16H2,1-4H3
InChIKeyKGBNNMMXDXPWNU-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

4-(3-chloro-2,5-dimethoxy-4-methylphenyl)-1-methylpyrazol-5-amine
CID 117452245
3-(3-chloro-5-ethyl-2,4-dimethoxyphenyl)-1-methylpyrazol-5-amine
CID 117476523
4-(3-chloro-5-ethyl-2,4-dimethoxyphenyl)-1H-pyrazol-5-amine
CID 117452228
4-(3-chloro-5-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117392093
4-(5-ethyl-3-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117375989
4-(3-chloro-2,5-dimethoxyphenyl)-1-methylpyrazol-5-amine
CID 117422690
4-[3-chloro-2-methoxy-5-(trifluoromethyl)phenyl]-1-methylpyrazol-5-amine
CID 117490919
4-[2,3-dimethoxy-5-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
CID 117444282
4-(5-chloro-2-methoxy-3,6-dimethylphenyl)-1-methylpyrazol-5-amine
CID 117418562
[3-(5-amino-1-methylpyrazol-4-yl)-2-methoxyphenyl]methanol
CID 117338191
4-ethyl-1-methylpyrazol-5-amine
CID 22456644
4-(5-amino-1-methylpyrazol-4-yl)-2-ethyl-5-methylphenol
CID 117334699

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-5-ethyl-2,4-dimethoxyphenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 4-(3-chloro-5-ethyl-2,4-dimethoxyphenyl)-1-methylpyrazol-5-amine (CID 117476513) is 4-(3-chloro-5-ethyl-2,4-dimethoxyphenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-(3-chloro-5-ethyl-2,4-dimethoxyphenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 4-(3-chloro-5-ethyl-2,4-dimethoxyphenyl)-1-methylpyrazol-5-amine is CCc1cc(-c2cnn(C)c2N)c(OC)c(Cl)c1OC.
What is the InChIKey of 4-(3-chloro-5-ethyl-2,4-dimethoxyphenyl)-1-methylpyrazol-5-amine?
The InChIKey is KGBNNMMXDXPWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c1-5-8-6-9(10-7-17-18(2)14(10)16)13(20-4)11(15)12(8)19-3/h6-7H,5,16H2,1-4H3.
What are the key properties of 4-(3-chloro-5-ethyl-2,4-dimethoxyphenyl)-1-methylpyrazol-5-amine?
4-(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 4-(3-chloro-5-ethyl-2,4-dimethoxyphenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 117476513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).