3-(3-chloro-5-ethyl-2-methoxyphenyl)-1-methylpyrazol-5-amine

C13H16ClN3O — CID 117418522

IUPAC3-(3-chloro-5-ethyl-2-methoxyphenyl)-1-methylpyrazol-5-amine
SMILESCCc1cc(Cl)c(OC)c(-c2cc(N)n(C)n2)c1
InChIInChI=1S/C13H16ClN3O/c1-4-8-5-9(13(18-3)10(14)6-8)11-7-12(15)17(2)16-11/h5-7H,4,15H2,1-3H3
InChIKeyUOOOBEFKNQJRSN-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.89
Rot. Bonds3

About 3-(3-chloro-5-ethyl-2-methoxyphenyl)-1-methylpyrazol-5-amine

3-(3-chloro-5-ethyl-2-methoxyphenyl)-1-methylpyrazol-5-amine (PubChem CID 117418522) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is 3-(3-chloro-5-ethyl-2-methoxyphenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-(3-chloro-5-ethyl-2-methoxyphenyl)-1-methylpyrazol-5-amine
PubChem CID117418522
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC Name3-(3-chloro-5-ethyl-2-methoxyphenyl)-1-methylpyrazol-5-amine
SMILESCCc1cc(Cl)c(OC)c(-c2cc(N)n(C)n2)c1
InChIInChI=1S/C13H16ClN3O/c1-4-8-5-9(13(18-3)10(14)6-8)11-7-12(15)17(2)16-11/h5-7H,4,15H2,1-3H3
InChIKeyUOOOBEFKNQJRSN-UHFFFAOYSA-N
XLogP2.89
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-5-ethyl-2-methoxyphenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 3-(3-chloro-5-ethyl-2-methoxyphenyl)-1-methylpyrazol-5-amine (CID 117418522) is 3-(3-chloro-5-ethyl-2-methoxyphenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-(3-chloro-5-ethyl-2-methoxyphenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 3-(3-chloro-5-ethyl-2-methoxyphenyl)-1-methylpyrazol-5-amine is CCc1cc(Cl)c(OC)c(-c2cc(N)n(C)n2)c1.
What is the InChIKey of 3-(3-chloro-5-ethyl-2-methoxyphenyl)-1-methylpyrazol-5-amine?
The InChIKey is UOOOBEFKNQJRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O/c1-4-8-5-9(13(18-3)10(14)6-8)11-7-12(15)17(2)16-11/h5-7H,4,15H2,1-3H3.
What are the key properties of 3-(3-chloro-5-ethyl-2-methoxyphenyl)-1-methylpyrazol-5-amine?
3-(3-chloro-5-ethyl-2-methoxyphenyl)-1-methylpyrazol-5-amine has a molecular weight of 265.74 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-5-ethyl-2-methoxyphenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 117418522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).