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

C16H23N3 — CID 62829768

IUPAC1-methyl-4-(3-methylphenyl)-3-pentan-3-ylpyrazol-5-amine
SMILESCCC(CC)c1nn(C)c(N)c1-c1cccc(C)c1
InChIInChI=1S/C16H23N3/c1-5-12(6-2)15-14(16(17)19(4)18-15)13-9-7-8-11(3)10-13/h7-10,12H,5-6,17H2,1-4H3
InChIKeyPLJGRTXLKHFCOA-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.88
Rot. Bonds4

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

1-methyl-4-(3-methylphenyl)-3-pentan-3-ylpyrazol-5-amine (PubChem CID 62829768) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-methyl-4-(3-methylphenyl)-3-pentan-3-ylpyrazol-5-amine.

Molecular Properties

Compound Name1-methyl-4-(3-methylphenyl)-3-pentan-3-ylpyrazol-5-amine
PubChem CID62829768
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name1-methyl-4-(3-methylphenyl)-3-pentan-3-ylpyrazol-5-amine
SMILESCCC(CC)c1nn(C)c(N)c1-c1cccc(C)c1
InChIInChI=1S/C16H23N3/c1-5-12(6-2)15-14(16(17)19(4)18-15)13-9-7-8-11(3)10-13/h7-10,12H,5-6,17H2,1-4H3
InChIKeyPLJGRTXLKHFCOA-UHFFFAOYSA-N
XLogP3.88
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(3-methylphenyl)-3-pentan-3-ylpyrazol-5-amine?
The IUPAC name of 1-methyl-4-(3-methylphenyl)-3-pentan-3-ylpyrazol-5-amine (CID 62829768) is 1-methyl-4-(3-methylphenyl)-3-pentan-3-ylpyrazol-5-amine.
What is the SMILES notation for 1-methyl-4-(3-methylphenyl)-3-pentan-3-ylpyrazol-5-amine?
The canonical SMILES for 1-methyl-4-(3-methylphenyl)-3-pentan-3-ylpyrazol-5-amine is CCC(CC)c1nn(C)c(N)c1-c1cccc(C)c1.
What is the InChIKey of 1-methyl-4-(3-methylphenyl)-3-pentan-3-ylpyrazol-5-amine?
The InChIKey is PLJGRTXLKHFCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-5-12(6-2)15-14(16(17)19(4)18-15)13-9-7-8-11(3)10-13/h7-10,12H,5-6,17H2,1-4H3.
What are the key properties of 1-methyl-4-(3-methylphenyl)-3-pentan-3-ylpyrazol-5-amine?
1-methyl-4-(3-methylphenyl)-3-pentan-3-ylpyrazol-5-amine has a molecular weight of 257.38 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(3-methylphenyl)-3-pentan-3-ylpyrazol-5-amine is sourced from PubChem (CID 62829768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).