1-[2-(2,6-dichloro-3,5-dimethoxyphenyl)ethyl]pyrazol-3-amine

C13H15Cl2N3O2 — CID 175781899

IUPAC1-[2-(2,6-dichloro-3,5-dimethoxyphenyl)ethyl]pyrazol-3-amine
SMILESCOc1cc(OC)c(Cl)c(CCn2ccc(N)n2)c1Cl
InChIInChI=1S/C13H15Cl2N3O2/c1-19-9-7-10(20-2)13(15)8(12(9)14)3-5-18-6-4-11(16)17-18/h4,6-7H,3,5H2,1-2H3,(H2,16,17)
InChIKeyKQJMTFMDVXTMTB-UHFFFAOYSA-N
MW316.19 g/mol
LogP3.03
Rot. Bonds5

About 1-[2-(2,6-dichloro-3,5-dimethoxyphenyl)ethyl]pyrazol-3-amine

1-[2-(2,6-dichloro-3,5-dimethoxyphenyl)ethyl]pyrazol-3-amine (PubChem CID 175781899) has the molecular formula C13H15Cl2N3O2 and a molecular weight of 316.19 g/mol. Its IUPAC name is 1-[2-(2,6-dichloro-3,5-dimethoxyphenyl)ethyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[2-(2,6-dichloro-3,5-dimethoxyphenyl)ethyl]pyrazol-3-amine
PubChem CID175781899
Molecular FormulaC13H15Cl2N3O2
Molecular Weight316.19 g/mol
Exact Mass315.05
IUPAC Name1-[2-(2,6-dichloro-3,5-dimethoxyphenyl)ethyl]pyrazol-3-amine
SMILESCOc1cc(OC)c(Cl)c(CCn2ccc(N)n2)c1Cl
InChIInChI=1S/C13H15Cl2N3O2/c1-19-9-7-10(20-2)13(15)8(12(9)14)3-5-18-6-4-11(16)17-18/h4,6-7H,3,5H2,1-2H3,(H2,16,17)
InChIKeyKQJMTFMDVXTMTB-UHFFFAOYSA-N
XLogP3.03
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.19
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-dichloro-3,5-dimethoxyphenyl)ethyl]pyrazol-3-amine?
The IUPAC name of 1-[2-(2,6-dichloro-3,5-dimethoxyphenyl)ethyl]pyrazol-3-amine (CID 175781899) is 1-[2-(2,6-dichloro-3,5-dimethoxyphenyl)ethyl]pyrazol-3-amine.
What is the SMILES notation for 1-[2-(2,6-dichloro-3,5-dimethoxyphenyl)ethyl]pyrazol-3-amine?
The canonical SMILES for 1-[2-(2,6-dichloro-3,5-dimethoxyphenyl)ethyl]pyrazol-3-amine is COc1cc(OC)c(Cl)c(CCn2ccc(N)n2)c1Cl.
What is the InChIKey of 1-[2-(2,6-dichloro-3,5-dimethoxyphenyl)ethyl]pyrazol-3-amine?
The InChIKey is KQJMTFMDVXTMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3O2/c1-19-9-7-10(20-2)13(15)8(12(9)14)3-5-18-6-4-11(16)17-18/h4,6-7H,3,5H2,1-2H3,(H2,16,17).
What are the key properties of 1-[2-(2,6-dichloro-3,5-dimethoxyphenyl)ethyl]pyrazol-3-amine?
1-[2-(2,6-dichloro-3,5-dimethoxyphenyl)ethyl]pyrazol-3-amine has a molecular weight of 316.19 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,6-dichloro-3,5-dimethoxyphenyl)ethyl]pyrazol-3-amine is sourced from PubChem (CID 175781899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).