5-N-[1-(2-chlorophenyl)ethyl]-3-ethyl-5-N,1-dimethylpyrazole-4,5-diamine

C15H21ClN4 — CID 66015031

IUPAC5-N-[1-(2-chlorophenyl)ethyl]-3-ethyl-5-N,1-dimethylpyrazole-4,5-diamine
SMILESCCc1nn(C)c(N(C)C(C)c2ccccc2Cl)c1N
InChIInChI=1S/C15H21ClN4/c1-5-13-14(17)15(20(4)18-13)19(3)10(2)11-8-6-7-9-12(11)16/h6-10H,5,17H2,1-4H3
InChIKeyVZWAAIHYDLWPKF-UHFFFAOYSA-N
MW292.81 g/mol
LogP3.42
Rot. Bonds4

About 5-N-[1-(2-chlorophenyl)ethyl]-3-ethyl-5-N,1-dimethylpyrazole-4,5-diamine

5-N-[1-(2-chlorophenyl)ethyl]-3-ethyl-5-N,1-dimethylpyrazole-4,5-diamine (PubChem CID 66015031) has the molecular formula C15H21ClN4 and a molecular weight of 292.81 g/mol. Its IUPAC name is 5-N-[1-(2-chlorophenyl)ethyl]-3-ethyl-5-N,1-dimethylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-[1-(2-chlorophenyl)ethyl]-3-ethyl-5-N,1-dimethylpyrazole-4,5-diamine
PubChem CID66015031
Molecular FormulaC15H21ClN4
Molecular Weight292.81 g/mol
Exact Mass292.15
IUPAC Name5-N-[1-(2-chlorophenyl)ethyl]-3-ethyl-5-N,1-dimethylpyrazole-4,5-diamine
SMILESCCc1nn(C)c(N(C)C(C)c2ccccc2Cl)c1N
InChIInChI=1S/C15H21ClN4/c1-5-13-14(17)15(20(4)18-13)19(3)10(2)11-8-6-7-9-12(11)16/h6-10H,5,17H2,1-4H3
InChIKeyVZWAAIHYDLWPKF-UHFFFAOYSA-N
XLogP3.42
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-N-[1-(2-chlorophenyl)ethyl]-3-ethyl-5-N,1-dimethylpyrazole-4,5-diamine?
The IUPAC name of 5-N-[1-(2-chlorophenyl)ethyl]-3-ethyl-5-N,1-dimethylpyrazole-4,5-diamine (CID 66015031) is 5-N-[1-(2-chlorophenyl)ethyl]-3-ethyl-5-N,1-dimethylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-[1-(2-chlorophenyl)ethyl]-3-ethyl-5-N,1-dimethylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-[1-(2-chlorophenyl)ethyl]-3-ethyl-5-N,1-dimethylpyrazole-4,5-diamine is CCc1nn(C)c(N(C)C(C)c2ccccc2Cl)c1N.
What is the InChIKey of 5-N-[1-(2-chlorophenyl)ethyl]-3-ethyl-5-N,1-dimethylpyrazole-4,5-diamine?
The InChIKey is VZWAAIHYDLWPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4/c1-5-13-14(17)15(20(4)18-13)19(3)10(2)11-8-6-7-9-12(11)16/h6-10H,5,17H2,1-4H3.
What are the key properties of 5-N-[1-(2-chlorophenyl)ethyl]-3-ethyl-5-N,1-dimethylpyrazole-4,5-diamine?
5-N-[1-(2-chlorophenyl)ethyl]-3-ethyl-5-N,1-dimethylpyrazole-4,5-diamine has a molecular weight of 292.81 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[1-(2-chlorophenyl)ethyl]-3-ethyl-5-N,1-dimethylpyrazole-4,5-diamine is sourced from PubChem (CID 66015031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).