About 2-methyl-N-(4-methylcyclohexyl)pyrazol-3-amine
2-methyl-N-(4-methylcyclohexyl)pyrazol-3-amine (PubChem CID 115702879) has the molecular formula C11H19N3
and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-methyl-N-(4-methylcyclohexyl)pyrazol-3-amine.
Molecular Properties
| Compound Name | 2-methyl-N-(4-methylcyclohexyl)pyrazol-3-amine |
| PubChem CID | 115702879 |
| Molecular Formula | C11H19N3 |
| Molecular Weight | 193.29 g/mol |
| Exact Mass | 193.16 |
| IUPAC Name | 2-methyl-N-(4-methylcyclohexyl)pyrazol-3-amine |
| SMILES | CC1CCC(Nc2ccnn2C)CC1 |
| InChI | InChI=1S/C11H19N3/c1-9-3-5-10(6-4-9)13-11-7-8-12-14(11)2/h7-10,13H,3-6H2,1-2H3 |
| InChIKey | VRPKMJHYUNIBPS-UHFFFAOYSA-N |
| XLogP | 2.41 |
| TPSA | 29.85 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 14 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 193.29 |
| LogP ≤ 5 | 2.41 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of 2-methyl-N-(4-methylcyclohexyl)pyrazol-3-amine?
The IUPAC name of 2-methyl-N-(4-methylcyclohexyl)pyrazol-3-amine (CID 115702879) is 2-methyl-N-(4-methylcyclohexyl)pyrazol-3-amine.
What is the SMILES notation for 2-methyl-N-(4-methylcyclohexyl)pyrazol-3-amine?
The canonical SMILES for 2-methyl-N-(4-methylcyclohexyl)pyrazol-3-amine is CC1CCC(Nc2ccnn2C)CC1.
What is the InChIKey of 2-methyl-N-(4-methylcyclohexyl)pyrazol-3-amine?
The InChIKey is VRPKMJHYUNIBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-9-3-5-10(6-4-9)13-11-7-8-12-14(11)2/h7-10,13H,3-6H2,1-2H3.
What are the key properties of 2-methyl-N-(4-methylcyclohexyl)pyrazol-3-amine?
2-methyl-N-(4-methylcyclohexyl)pyrazol-3-amine has a molecular weight of 193.29 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-methylcyclohexyl)pyrazol-3-amine is sourced from PubChem (CID 115702879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).