3-(4-methylphenyl)-1-pentan-3-ylpyrazol-5-amine

C15H21N3 — CID 61271886

IUPAC3-(4-methylphenyl)-1-pentan-3-ylpyrazol-5-amine
SMILESCCC(CC)n1nc(-c2ccc(C)cc2)cc1N
InChIInChI=1S/C15H21N3/c1-4-13(5-2)18-15(16)10-14(17-18)12-8-6-11(3)7-9-12/h6-10,13H,4-5,16H2,1-3H3
InChIKeyUKLLVCVIHUOLQN-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.80
Rot. Bonds4

About 3-(4-methylphenyl)-1-pentan-3-ylpyrazol-5-amine

3-(4-methylphenyl)-1-pentan-3-ylpyrazol-5-amine (PubChem CID 61271886) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-(4-methylphenyl)-1-pentan-3-ylpyrazol-5-amine.

Molecular Properties

Compound Name3-(4-methylphenyl)-1-pentan-3-ylpyrazol-5-amine
PubChem CID61271886
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name3-(4-methylphenyl)-1-pentan-3-ylpyrazol-5-amine
SMILESCCC(CC)n1nc(-c2ccc(C)cc2)cc1N
InChIInChI=1S/C15H21N3/c1-4-13(5-2)18-15(16)10-14(17-18)12-8-6-11(3)7-9-12/h6-10,13H,4-5,16H2,1-3H3
InChIKeyUKLLVCVIHUOLQN-UHFFFAOYSA-N
XLogP3.80
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-1-pentan-3-ylpyrazol-5-amine?
The IUPAC name of 3-(4-methylphenyl)-1-pentan-3-ylpyrazol-5-amine (CID 61271886) is 3-(4-methylphenyl)-1-pentan-3-ylpyrazol-5-amine.
What is the SMILES notation for 3-(4-methylphenyl)-1-pentan-3-ylpyrazol-5-amine?
The canonical SMILES for 3-(4-methylphenyl)-1-pentan-3-ylpyrazol-5-amine is CCC(CC)n1nc(-c2ccc(C)cc2)cc1N.
What is the InChIKey of 3-(4-methylphenyl)-1-pentan-3-ylpyrazol-5-amine?
The InChIKey is UKLLVCVIHUOLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-4-13(5-2)18-15(16)10-14(17-18)12-8-6-11(3)7-9-12/h6-10,13H,4-5,16H2,1-3H3.
What are the key properties of 3-(4-methylphenyl)-1-pentan-3-ylpyrazol-5-amine?
3-(4-methylphenyl)-1-pentan-3-ylpyrazol-5-amine has a molecular weight of 243.35 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-1-pentan-3-ylpyrazol-5-amine is sourced from PubChem (CID 61271886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).