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

C14H18ClN3O — CID 66015672

IUPAC5-(4-chloro-3,5-dimethylphenoxy)-3-ethyl-1-methylpyrazol-4-amine
SMILESCCc1nn(C)c(Oc2cc(C)c(Cl)c(C)c2)c1N
InChIInChI=1S/C14H18ClN3O/c1-5-11-13(16)14(18(4)17-11)19-10-6-8(2)12(15)9(3)7-10/h6-7H,5,16H2,1-4H3
InChIKeySZTFJHAJXMPQJH-UHFFFAOYSA-N
MW279.77 g/mol
LogP3.63
Rot. Bonds3

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

5-(4-chloro-3,5-dimethylphenoxy)-3-ethyl-1-methylpyrazol-4-amine (PubChem CID 66015672) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is 5-(4-chloro-3,5-dimethylphenoxy)-3-ethyl-1-methylpyrazol-4-amine.

Molecular Properties

Compound Name5-(4-chloro-3,5-dimethylphenoxy)-3-ethyl-1-methylpyrazol-4-amine
PubChem CID66015672
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name5-(4-chloro-3,5-dimethylphenoxy)-3-ethyl-1-methylpyrazol-4-amine
SMILESCCc1nn(C)c(Oc2cc(C)c(Cl)c(C)c2)c1N
InChIInChI=1S/C14H18ClN3O/c1-5-11-13(16)14(18(4)17-11)19-10-6-8(2)12(15)9(3)7-10/h6-7H,5,16H2,1-4H3
InChIKeySZTFJHAJXMPQJH-UHFFFAOYSA-N
XLogP3.63
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-3,5-dimethylphenoxy)-3-ethyl-1-methylpyrazol-4-amine?
The IUPAC name of 5-(4-chloro-3,5-dimethylphenoxy)-3-ethyl-1-methylpyrazol-4-amine (CID 66015672) is 5-(4-chloro-3,5-dimethylphenoxy)-3-ethyl-1-methylpyrazol-4-amine.
What is the SMILES notation for 5-(4-chloro-3,5-dimethylphenoxy)-3-ethyl-1-methylpyrazol-4-amine?
The canonical SMILES for 5-(4-chloro-3,5-dimethylphenoxy)-3-ethyl-1-methylpyrazol-4-amine is CCc1nn(C)c(Oc2cc(C)c(Cl)c(C)c2)c1N.
What is the InChIKey of 5-(4-chloro-3,5-dimethylphenoxy)-3-ethyl-1-methylpyrazol-4-amine?
The InChIKey is SZTFJHAJXMPQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c1-5-11-13(16)14(18(4)17-11)19-10-6-8(2)12(15)9(3)7-10/h6-7H,5,16H2,1-4H3.
What are the key properties of 5-(4-chloro-3,5-dimethylphenoxy)-3-ethyl-1-methylpyrazol-4-amine?
5-(4-chloro-3,5-dimethylphenoxy)-3-ethyl-1-methylpyrazol-4-amine has a molecular weight of 279.77 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-3,5-dimethylphenoxy)-3-ethyl-1-methylpyrazol-4-amine is sourced from PubChem (CID 66015672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).