4-(2,4-dimethylphenyl)-1-methyl-3-propan-2-ylpyrazol-5-amine

C15H21N3 — CID 83544738

IUPAC4-(2,4-dimethylphenyl)-1-methyl-3-propan-2-ylpyrazol-5-amine
SMILESCc1ccc(-c2c(C(C)C)nn(C)c2N)c(C)c1
InChIInChI=1S/C15H21N3/c1-9(2)14-13(15(16)18(5)17-14)12-7-6-10(3)8-11(12)4/h6-9H,16H2,1-5H3
InChIKeyCWJCYYBCELFVAQ-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.41
Rot. Bonds2

About 4-(2,4-dimethylphenyl)-1-methyl-3-propan-2-ylpyrazol-5-amine

4-(2,4-dimethylphenyl)-1-methyl-3-propan-2-ylpyrazol-5-amine (PubChem CID 83544738) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 4-(2,4-dimethylphenyl)-1-methyl-3-propan-2-ylpyrazol-5-amine.

Molecular Properties

Compound Name4-(2,4-dimethylphenyl)-1-methyl-3-propan-2-ylpyrazol-5-amine
PubChem CID83544738
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name4-(2,4-dimethylphenyl)-1-methyl-3-propan-2-ylpyrazol-5-amine
SMILESCc1ccc(-c2c(C(C)C)nn(C)c2N)c(C)c1
InChIInChI=1S/C15H21N3/c1-9(2)14-13(15(16)18(5)17-14)12-7-6-10(3)8-11(12)4/h6-9H,16H2,1-5H3
InChIKeyCWJCYYBCELFVAQ-UHFFFAOYSA-N
XLogP3.41
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylphenyl)-1-methyl-3-propan-2-ylpyrazol-5-amine?
The IUPAC name of 4-(2,4-dimethylphenyl)-1-methyl-3-propan-2-ylpyrazol-5-amine (CID 83544738) is 4-(2,4-dimethylphenyl)-1-methyl-3-propan-2-ylpyrazol-5-amine.
What is the SMILES notation for 4-(2,4-dimethylphenyl)-1-methyl-3-propan-2-ylpyrazol-5-amine?
The canonical SMILES for 4-(2,4-dimethylphenyl)-1-methyl-3-propan-2-ylpyrazol-5-amine is Cc1ccc(-c2c(C(C)C)nn(C)c2N)c(C)c1.
What is the InChIKey of 4-(2,4-dimethylphenyl)-1-methyl-3-propan-2-ylpyrazol-5-amine?
The InChIKey is CWJCYYBCELFVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-9(2)14-13(15(16)18(5)17-14)12-7-6-10(3)8-11(12)4/h6-9H,16H2,1-5H3.
What are the key properties of 4-(2,4-dimethylphenyl)-1-methyl-3-propan-2-ylpyrazol-5-amine?
4-(2,4-dimethylphenyl)-1-methyl-3-propan-2-ylpyrazol-5-amine has a molecular weight of 243.35 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylphenyl)-1-methyl-3-propan-2-ylpyrazol-5-amine is sourced from PubChem (CID 83544738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).