5-N-(5-chloro-2-methylphenyl)-3-ethyl-1-methylpyrazole-4,5-diamine

C13H17ClN4 — CID 66014175

IUPAC5-N-(5-chloro-2-methylphenyl)-3-ethyl-1-methylpyrazole-4,5-diamine
SMILESCCc1nn(C)c(Nc2cc(Cl)ccc2C)c1N
InChIInChI=1S/C13H17ClN4/c1-4-10-12(15)13(18(3)17-10)16-11-7-9(14)6-5-8(11)2/h5-7,16H,4,15H2,1-3H3
InChIKeyHZDAOZHTCYUSGX-UHFFFAOYSA-N
MW264.76 g/mol
LogP3.27
Rot. Bonds3

About 5-N-(5-chloro-2-methylphenyl)-3-ethyl-1-methylpyrazole-4,5-diamine

5-N-(5-chloro-2-methylphenyl)-3-ethyl-1-methylpyrazole-4,5-diamine (PubChem CID 66014175) has the molecular formula C13H17ClN4 and a molecular weight of 264.76 g/mol. Its IUPAC name is 5-N-(5-chloro-2-methylphenyl)-3-ethyl-1-methylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-(5-chloro-2-methylphenyl)-3-ethyl-1-methylpyrazole-4,5-diamine
PubChem CID66014175
Molecular FormulaC13H17ClN4
Molecular Weight264.76 g/mol
Exact Mass264.11
IUPAC Name5-N-(5-chloro-2-methylphenyl)-3-ethyl-1-methylpyrazole-4,5-diamine
SMILESCCc1nn(C)c(Nc2cc(Cl)ccc2C)c1N
InChIInChI=1S/C13H17ClN4/c1-4-10-12(15)13(18(3)17-10)16-11-7-9(14)6-5-8(11)2/h5-7,16H,4,15H2,1-3H3
InChIKeyHZDAOZHTCYUSGX-UHFFFAOYSA-N
XLogP3.27
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-N-(5-chloro-2-methylphenyl)-3-ethyl-1-methylpyrazole-4,5-diamine?
The IUPAC name of 5-N-(5-chloro-2-methylphenyl)-3-ethyl-1-methylpyrazole-4,5-diamine (CID 66014175) is 5-N-(5-chloro-2-methylphenyl)-3-ethyl-1-methylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-(5-chloro-2-methylphenyl)-3-ethyl-1-methylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-(5-chloro-2-methylphenyl)-3-ethyl-1-methylpyrazole-4,5-diamine is CCc1nn(C)c(Nc2cc(Cl)ccc2C)c1N.
What is the InChIKey of 5-N-(5-chloro-2-methylphenyl)-3-ethyl-1-methylpyrazole-4,5-diamine?
The InChIKey is HZDAOZHTCYUSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4/c1-4-10-12(15)13(18(3)17-10)16-11-7-9(14)6-5-8(11)2/h5-7,16H,4,15H2,1-3H3.
What are the key properties of 5-N-(5-chloro-2-methylphenyl)-3-ethyl-1-methylpyrazole-4,5-diamine?
5-N-(5-chloro-2-methylphenyl)-3-ethyl-1-methylpyrazole-4,5-diamine has a molecular weight of 264.76 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(5-chloro-2-methylphenyl)-3-ethyl-1-methylpyrazole-4,5-diamine is sourced from PubChem (CID 66014175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).