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

C12H15ClN4 — CID 43554203

IUPAC5-N-(5-chloro-2-methylphenyl)-1,3-dimethylpyrazole-4,5-diamine
SMILESCc1ccc(Cl)cc1Nc1c(N)c(C)nn1C
InChIInChI=1S/C12H15ClN4/c1-7-4-5-9(13)6-10(7)15-12-11(14)8(2)16-17(12)3/h4-6,15H,14H2,1-3H3
InChIKeyBWHSLCFMHKUPEZ-UHFFFAOYSA-N
MW250.73 g/mol
LogP3.02
Rot. Bonds2

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

5-N-(5-chloro-2-methylphenyl)-1,3-dimethylpyrazole-4,5-diamine (PubChem CID 43554203) has the molecular formula C12H15ClN4 and a molecular weight of 250.73 g/mol. Its IUPAC name is 5-N-(5-chloro-2-methylphenyl)-1,3-dimethylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-(5-chloro-2-methylphenyl)-1,3-dimethylpyrazole-4,5-diamine
PubChem CID43554203
Molecular FormulaC12H15ClN4
Molecular Weight250.73 g/mol
Exact Mass250.10
IUPAC Name5-N-(5-chloro-2-methylphenyl)-1,3-dimethylpyrazole-4,5-diamine
SMILESCc1ccc(Cl)cc1Nc1c(N)c(C)nn1C
InChIInChI=1S/C12H15ClN4/c1-7-4-5-9(13)6-10(7)15-12-11(14)8(2)16-17(12)3/h4-6,15H,14H2,1-3H3
InChIKeyBWHSLCFMHKUPEZ-UHFFFAOYSA-N
XLogP3.02
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 53.02
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)-1,3-dimethylpyrazole-4,5-diamine?
The IUPAC name of 5-N-(5-chloro-2-methylphenyl)-1,3-dimethylpyrazole-4,5-diamine (CID 43554203) is 5-N-(5-chloro-2-methylphenyl)-1,3-dimethylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-(5-chloro-2-methylphenyl)-1,3-dimethylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-(5-chloro-2-methylphenyl)-1,3-dimethylpyrazole-4,5-diamine is Cc1ccc(Cl)cc1Nc1c(N)c(C)nn1C.
What is the InChIKey of 5-N-(5-chloro-2-methylphenyl)-1,3-dimethylpyrazole-4,5-diamine?
The InChIKey is BWHSLCFMHKUPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4/c1-7-4-5-9(13)6-10(7)15-12-11(14)8(2)16-17(12)3/h4-6,15H,14H2,1-3H3.
What are the key properties of 5-N-(5-chloro-2-methylphenyl)-1,3-dimethylpyrazole-4,5-diamine?
5-N-(5-chloro-2-methylphenyl)-1,3-dimethylpyrazole-4,5-diamine has a molecular weight of 250.73 g/mol, XLogP of 3.02, 2 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)-1,3-dimethylpyrazole-4,5-diamine is sourced from PubChem (CID 43554203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).