3-(2,5-dimethylphenyl)-N-methyl-1-(2-methylpropyl)pyrazol-4-amine

C16H23N3 — CID 134594126

IUPAC3-(2,5-dimethylphenyl)-N-methyl-1-(2-methylpropyl)pyrazol-4-amine
SMILESCNc1cn(CC(C)C)nc1-c1cc(C)ccc1C
InChIInChI=1S/C16H23N3/c1-11(2)9-19-10-15(17-5)16(18-19)14-8-12(3)6-7-13(14)4/h6-8,10-11,17H,9H2,1-5H3
InChIKeyNIJCWWIDQAKFJY-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.86
Rot. Bonds4

About 3-(2,5-dimethylphenyl)-N-methyl-1-(2-methylpropyl)pyrazol-4-amine

3-(2,5-dimethylphenyl)-N-methyl-1-(2-methylpropyl)pyrazol-4-amine (PubChem CID 134594126) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 3-(2,5-dimethylphenyl)-N-methyl-1-(2-methylpropyl)pyrazol-4-amine.

Molecular Properties

Compound Name3-(2,5-dimethylphenyl)-N-methyl-1-(2-methylpropyl)pyrazol-4-amine
PubChem CID134594126
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name3-(2,5-dimethylphenyl)-N-methyl-1-(2-methylpropyl)pyrazol-4-amine
SMILESCNc1cn(CC(C)C)nc1-c1cc(C)ccc1C
InChIInChI=1S/C16H23N3/c1-11(2)9-19-10-15(17-5)16(18-19)14-8-12(3)6-7-13(14)4/h6-8,10-11,17H,9H2,1-5H3
InChIKeyNIJCWWIDQAKFJY-UHFFFAOYSA-N
XLogP3.86
TPSA29.85 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 ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylphenyl)-N-methyl-1-(2-methylpropyl)pyrazol-4-amine?
The IUPAC name of 3-(2,5-dimethylphenyl)-N-methyl-1-(2-methylpropyl)pyrazol-4-amine (CID 134594126) is 3-(2,5-dimethylphenyl)-N-methyl-1-(2-methylpropyl)pyrazol-4-amine.
What is the SMILES notation for 3-(2,5-dimethylphenyl)-N-methyl-1-(2-methylpropyl)pyrazol-4-amine?
The canonical SMILES for 3-(2,5-dimethylphenyl)-N-methyl-1-(2-methylpropyl)pyrazol-4-amine is CNc1cn(CC(C)C)nc1-c1cc(C)ccc1C.
What is the InChIKey of 3-(2,5-dimethylphenyl)-N-methyl-1-(2-methylpropyl)pyrazol-4-amine?
The InChIKey is NIJCWWIDQAKFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-11(2)9-19-10-15(17-5)16(18-19)14-8-12(3)6-7-13(14)4/h6-8,10-11,17H,9H2,1-5H3.
What are the key properties of 3-(2,5-dimethylphenyl)-N-methyl-1-(2-methylpropyl)pyrazol-4-amine?
3-(2,5-dimethylphenyl)-N-methyl-1-(2-methylpropyl)pyrazol-4-amine has a molecular weight of 257.38 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylphenyl)-N-methyl-1-(2-methylpropyl)pyrazol-4-amine is sourced from PubChem (CID 134594126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).