5-N-(2,4-dimethylphenyl)-5-N,1-dimethyl-3-propan-2-ylpyrazole-4,5-diamine

C16H24N4 — CID 66017263

IUPAC5-N-(2,4-dimethylphenyl)-5-N,1-dimethyl-3-propan-2-ylpyrazole-4,5-diamine
SMILESCc1ccc(N(C)c2c(N)c(C(C)C)nn2C)c(C)c1
InChIInChI=1S/C16H24N4/c1-10(2)15-14(17)16(20(6)18-15)19(5)13-8-7-11(3)9-12(13)4/h7-10H,17H2,1-6H3
InChIKeyJFWDWGMSDIOWPO-UHFFFAOYSA-N
MW272.40 g/mol
LogP3.51
Rot. Bonds3

About 5-N-(2,4-dimethylphenyl)-5-N,1-dimethyl-3-propan-2-ylpyrazole-4,5-diamine

5-N-(2,4-dimethylphenyl)-5-N,1-dimethyl-3-propan-2-ylpyrazole-4,5-diamine (PubChem CID 66017263) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 5-N-(2,4-dimethylphenyl)-5-N,1-dimethyl-3-propan-2-ylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-(2,4-dimethylphenyl)-5-N,1-dimethyl-3-propan-2-ylpyrazole-4,5-diamine
PubChem CID66017263
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name5-N-(2,4-dimethylphenyl)-5-N,1-dimethyl-3-propan-2-ylpyrazole-4,5-diamine
SMILESCc1ccc(N(C)c2c(N)c(C(C)C)nn2C)c(C)c1
InChIInChI=1S/C16H24N4/c1-10(2)15-14(17)16(20(6)18-15)19(5)13-8-7-11(3)9-12(13)4/h7-10H,17H2,1-6H3
InChIKeyJFWDWGMSDIOWPO-UHFFFAOYSA-N
XLogP3.51
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-N-(2,4-dimethylphenyl)-5-N,1-dimethyl-3-propan-2-ylpyrazole-4,5-diamine?
The IUPAC name of 5-N-(2,4-dimethylphenyl)-5-N,1-dimethyl-3-propan-2-ylpyrazole-4,5-diamine (CID 66017263) is 5-N-(2,4-dimethylphenyl)-5-N,1-dimethyl-3-propan-2-ylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-(2,4-dimethylphenyl)-5-N,1-dimethyl-3-propan-2-ylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-(2,4-dimethylphenyl)-5-N,1-dimethyl-3-propan-2-ylpyrazole-4,5-diamine is Cc1ccc(N(C)c2c(N)c(C(C)C)nn2C)c(C)c1.
What is the InChIKey of 5-N-(2,4-dimethylphenyl)-5-N,1-dimethyl-3-propan-2-ylpyrazole-4,5-diamine?
The InChIKey is JFWDWGMSDIOWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-10(2)15-14(17)16(20(6)18-15)19(5)13-8-7-11(3)9-12(13)4/h7-10H,17H2,1-6H3.
What are the key properties of 5-N-(2,4-dimethylphenyl)-5-N,1-dimethyl-3-propan-2-ylpyrazole-4,5-diamine?
5-N-(2,4-dimethylphenyl)-5-N,1-dimethyl-3-propan-2-ylpyrazole-4,5-diamine has a molecular weight of 272.40 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2,4-dimethylphenyl)-5-N,1-dimethyl-3-propan-2-ylpyrazole-4,5-diamine is sourced from PubChem (CID 66017263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).