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

C13H17ClN4 — CID 103078461

IUPAC3-N-[1-(3-chlorophenyl)ethyl]-3-N,1-dimethylpyrazole-3,4-diamine
SMILESCC(c1cccc(Cl)c1)N(C)c1nn(C)cc1N
InChIInChI=1S/C13H17ClN4/c1-9(10-5-4-6-11(14)7-10)18(3)13-12(15)8-17(2)16-13/h4-9H,15H2,1-3H3
InChIKeyZQVXUPXFUUCXLH-UHFFFAOYSA-N
MW264.76 g/mol
LogP2.85
Rot. Bonds3

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

3-N-[1-(3-chlorophenyl)ethyl]-3-N,1-dimethylpyrazole-3,4-diamine (PubChem CID 103078461) has the molecular formula C13H17ClN4 and a molecular weight of 264.76 g/mol. Its IUPAC name is 3-N-[1-(3-chlorophenyl)ethyl]-3-N,1-dimethylpyrazole-3,4-diamine.

Molecular Properties

Compound Name3-N-[1-(3-chlorophenyl)ethyl]-3-N,1-dimethylpyrazole-3,4-diamine
PubChem CID103078461
Molecular FormulaC13H17ClN4
Molecular Weight264.76 g/mol
Exact Mass264.11
IUPAC Name3-N-[1-(3-chlorophenyl)ethyl]-3-N,1-dimethylpyrazole-3,4-diamine
SMILESCC(c1cccc(Cl)c1)N(C)c1nn(C)cc1N
InChIInChI=1S/C13H17ClN4/c1-9(10-5-4-6-11(14)7-10)18(3)13-12(15)8-17(2)16-13/h4-9H,15H2,1-3H3
InChIKeyZQVXUPXFUUCXLH-UHFFFAOYSA-N
XLogP2.85
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N-[1-(3-chlorophenyl)ethyl]-3-N,1-dimethylpyrazole-3,4-diamine?
The IUPAC name of 3-N-[1-(3-chlorophenyl)ethyl]-3-N,1-dimethylpyrazole-3,4-diamine (CID 103078461) is 3-N-[1-(3-chlorophenyl)ethyl]-3-N,1-dimethylpyrazole-3,4-diamine.
What is the SMILES notation for 3-N-[1-(3-chlorophenyl)ethyl]-3-N,1-dimethylpyrazole-3,4-diamine?
The canonical SMILES for 3-N-[1-(3-chlorophenyl)ethyl]-3-N,1-dimethylpyrazole-3,4-diamine is CC(c1cccc(Cl)c1)N(C)c1nn(C)cc1N.
What is the InChIKey of 3-N-[1-(3-chlorophenyl)ethyl]-3-N,1-dimethylpyrazole-3,4-diamine?
The InChIKey is ZQVXUPXFUUCXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4/c1-9(10-5-4-6-11(14)7-10)18(3)13-12(15)8-17(2)16-13/h4-9H,15H2,1-3H3.
What are the key properties of 3-N-[1-(3-chlorophenyl)ethyl]-3-N,1-dimethylpyrazole-3,4-diamine?
3-N-[1-(3-chlorophenyl)ethyl]-3-N,1-dimethylpyrazole-3,4-diamine has a molecular weight of 264.76 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[1-(3-chlorophenyl)ethyl]-3-N,1-dimethylpyrazole-3,4-diamine is sourced from PubChem (CID 103078461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).