N'-[1-(2-chlorophenyl)-3,5-dimethylpyrazol-4-yl]ethane-1,2-diamine

C13H17ClN4 — CID 117124675

IUPACN'-[1-(2-chlorophenyl)-3,5-dimethylpyrazol-4-yl]ethane-1,2-diamine
SMILESCc1nn(-c2ccccc2Cl)c(C)c1NCCN
InChIInChI=1S/C13H17ClN4/c1-9-13(16-8-7-15)10(2)18(17-9)12-6-4-3-5-11(12)14/h3-6,16H,7-8,15H2,1-2H3
InChIKeyOVYHNXITYPLMDS-UHFFFAOYSA-N
MW264.76 g/mol
LogP2.51
Rot. Bonds4

About N'-[1-(2-chlorophenyl)-3,5-dimethylpyrazol-4-yl]ethane-1,2-diamine

N'-[1-(2-chlorophenyl)-3,5-dimethylpyrazol-4-yl]ethane-1,2-diamine (PubChem CID 117124675) has the molecular formula C13H17ClN4 and a molecular weight of 264.76 g/mol. Its IUPAC name is N'-[1-(2-chlorophenyl)-3,5-dimethylpyrazol-4-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[1-(2-chlorophenyl)-3,5-dimethylpyrazol-4-yl]ethane-1,2-diamine
PubChem CID117124675
Molecular FormulaC13H17ClN4
Molecular Weight264.76 g/mol
Exact Mass264.11
IUPAC NameN'-[1-(2-chlorophenyl)-3,5-dimethylpyrazol-4-yl]ethane-1,2-diamine
SMILESCc1nn(-c2ccccc2Cl)c(C)c1NCCN
InChIInChI=1S/C13H17ClN4/c1-9-13(16-8-7-15)10(2)18(17-9)12-6-4-3-5-11(12)14/h3-6,16H,7-8,15H2,1-2H3
InChIKeyOVYHNXITYPLMDS-UHFFFAOYSA-N
XLogP2.51
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-[1-(2-chlorophenyl)-3,5-dimethylpyrazol-4-yl]ethane-1,2-diamine?
The IUPAC name of N'-[1-(2-chlorophenyl)-3,5-dimethylpyrazol-4-yl]ethane-1,2-diamine (CID 117124675) is N'-[1-(2-chlorophenyl)-3,5-dimethylpyrazol-4-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[1-(2-chlorophenyl)-3,5-dimethylpyrazol-4-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[1-(2-chlorophenyl)-3,5-dimethylpyrazol-4-yl]ethane-1,2-diamine is Cc1nn(-c2ccccc2Cl)c(C)c1NCCN.
What is the InChIKey of N'-[1-(2-chlorophenyl)-3,5-dimethylpyrazol-4-yl]ethane-1,2-diamine?
The InChIKey is OVYHNXITYPLMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4/c1-9-13(16-8-7-15)10(2)18(17-9)12-6-4-3-5-11(12)14/h3-6,16H,7-8,15H2,1-2H3.
What are the key properties of N'-[1-(2-chlorophenyl)-3,5-dimethylpyrazol-4-yl]ethane-1,2-diamine?
N'-[1-(2-chlorophenyl)-3,5-dimethylpyrazol-4-yl]ethane-1,2-diamine has a molecular weight of 264.76 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(2-chlorophenyl)-3,5-dimethylpyrazol-4-yl]ethane-1,2-diamine is sourced from PubChem (CID 117124675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).