1-methyl-3-(4-methylphenyl)-4-propylpyrazol-5-amine

C14H19N3 — CID 79404540

IUPAC1-methyl-3-(4-methylphenyl)-4-propylpyrazol-5-amine
SMILESCCCc1c(-c2ccc(C)cc2)nn(C)c1N
InChIInChI=1S/C14H19N3/c1-4-5-12-13(16-17(3)14(12)15)11-8-6-10(2)7-9-11/h6-9H,4-5,15H2,1-3H3
InChIKeyCPGRUCFIEHCZRJ-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.93
Rot. Bonds3

About 1-methyl-3-(4-methylphenyl)-4-propylpyrazol-5-amine

1-methyl-3-(4-methylphenyl)-4-propylpyrazol-5-amine (PubChem CID 79404540) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 1-methyl-3-(4-methylphenyl)-4-propylpyrazol-5-amine.

Molecular Properties

Compound Name1-methyl-3-(4-methylphenyl)-4-propylpyrazol-5-amine
PubChem CID79404540
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name1-methyl-3-(4-methylphenyl)-4-propylpyrazol-5-amine
SMILESCCCc1c(-c2ccc(C)cc2)nn(C)c1N
InChIInChI=1S/C14H19N3/c1-4-5-12-13(16-17(3)14(12)15)11-8-6-10(2)7-9-11/h6-9H,4-5,15H2,1-3H3
InChIKeyCPGRUCFIEHCZRJ-UHFFFAOYSA-N
XLogP2.93
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(4-methylphenyl)-4-propylpyrazol-5-amine?
The IUPAC name of 1-methyl-3-(4-methylphenyl)-4-propylpyrazol-5-amine (CID 79404540) is 1-methyl-3-(4-methylphenyl)-4-propylpyrazol-5-amine.
What is the SMILES notation for 1-methyl-3-(4-methylphenyl)-4-propylpyrazol-5-amine?
The canonical SMILES for 1-methyl-3-(4-methylphenyl)-4-propylpyrazol-5-amine is CCCc1c(-c2ccc(C)cc2)nn(C)c1N.
What is the InChIKey of 1-methyl-3-(4-methylphenyl)-4-propylpyrazol-5-amine?
The InChIKey is CPGRUCFIEHCZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-4-5-12-13(16-17(3)14(12)15)11-8-6-10(2)7-9-11/h6-9H,4-5,15H2,1-3H3.
What are the key properties of 1-methyl-3-(4-methylphenyl)-4-propylpyrazol-5-amine?
1-methyl-3-(4-methylphenyl)-4-propylpyrazol-5-amine has a molecular weight of 229.33 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(4-methylphenyl)-4-propylpyrazol-5-amine is sourced from PubChem (CID 79404540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).