3-N-(4,4-dimethylcyclohexyl)-1-methylpyrazole-3,4-diamine

C12H22N4 — CID 103078573

IUPAC3-N-(4,4-dimethylcyclohexyl)-1-methylpyrazole-3,4-diamine
SMILESCn1cc(N)c(NC2CCC(C)(C)CC2)n1
InChIInChI=1S/C12H22N4/c1-12(2)6-4-9(5-7-12)14-11-10(13)8-16(3)15-11/h8-9H,4-7,13H2,1-3H3,(H,14,15)
InChIKeySWUMNNDBZULXIN-UHFFFAOYSA-N
MW222.34 g/mol
LogP2.38
Rot. Bonds2

About 3-N-(4,4-dimethylcyclohexyl)-1-methylpyrazole-3,4-diamine

3-N-(4,4-dimethylcyclohexyl)-1-methylpyrazole-3,4-diamine (PubChem CID 103078573) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 3-N-(4,4-dimethylcyclohexyl)-1-methylpyrazole-3,4-diamine.

Molecular Properties

Compound Name3-N-(4,4-dimethylcyclohexyl)-1-methylpyrazole-3,4-diamine
PubChem CID103078573
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name3-N-(4,4-dimethylcyclohexyl)-1-methylpyrazole-3,4-diamine
SMILESCn1cc(N)c(NC2CCC(C)(C)CC2)n1
InChIInChI=1S/C12H22N4/c1-12(2)6-4-9(5-7-12)14-11-10(13)8-16(3)15-11/h8-9H,4-7,13H2,1-3H3,(H,14,15)
InChIKeySWUMNNDBZULXIN-UHFFFAOYSA-N
XLogP2.38
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N-(4,4-dimethylcyclohexyl)-1-methylpyrazole-3,4-diamine?
The IUPAC name of 3-N-(4,4-dimethylcyclohexyl)-1-methylpyrazole-3,4-diamine (CID 103078573) is 3-N-(4,4-dimethylcyclohexyl)-1-methylpyrazole-3,4-diamine.
What is the SMILES notation for 3-N-(4,4-dimethylcyclohexyl)-1-methylpyrazole-3,4-diamine?
The canonical SMILES for 3-N-(4,4-dimethylcyclohexyl)-1-methylpyrazole-3,4-diamine is Cn1cc(N)c(NC2CCC(C)(C)CC2)n1.
What is the InChIKey of 3-N-(4,4-dimethylcyclohexyl)-1-methylpyrazole-3,4-diamine?
The InChIKey is SWUMNNDBZULXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-12(2)6-4-9(5-7-12)14-11-10(13)8-16(3)15-11/h8-9H,4-7,13H2,1-3H3,(H,14,15).
What are the key properties of 3-N-(4,4-dimethylcyclohexyl)-1-methylpyrazole-3,4-diamine?
3-N-(4,4-dimethylcyclohexyl)-1-methylpyrazole-3,4-diamine has a molecular weight of 222.34 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(4,4-dimethylcyclohexyl)-1-methylpyrazole-3,4-diamine is sourced from PubChem (CID 103078573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).