5-N-cycloheptyl-1,3-dimethylpyrazole-4,5-diamine

C12H22N4 — CID 43554231

IUPAC5-N-cycloheptyl-1,3-dimethylpyrazole-4,5-diamine
SMILESCc1nn(C)c(NC2CCCCCC2)c1N
InChIInChI=1S/C12H22N4/c1-9-11(13)12(16(2)15-9)14-10-7-5-3-4-6-8-10/h10,14H,3-8,13H2,1-2H3
InChIKeyWYGCMSMZPIPEBH-UHFFFAOYSA-N
MW222.34 g/mol
LogP2.45
Rot. Bonds2

About 5-N-cycloheptyl-1,3-dimethylpyrazole-4,5-diamine

5-N-cycloheptyl-1,3-dimethylpyrazole-4,5-diamine (PubChem CID 43554231) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 5-N-cycloheptyl-1,3-dimethylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-cycloheptyl-1,3-dimethylpyrazole-4,5-diamine
PubChem CID43554231
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name5-N-cycloheptyl-1,3-dimethylpyrazole-4,5-diamine
SMILESCc1nn(C)c(NC2CCCCCC2)c1N
InChIInChI=1S/C12H22N4/c1-9-11(13)12(16(2)15-9)14-10-7-5-3-4-6-8-10/h10,14H,3-8,13H2,1-2H3
InChIKeyWYGCMSMZPIPEBH-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-N-cycloheptyl-1,3-dimethylpyrazole-4,5-diamine?
The IUPAC name of 5-N-cycloheptyl-1,3-dimethylpyrazole-4,5-diamine (CID 43554231) is 5-N-cycloheptyl-1,3-dimethylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-cycloheptyl-1,3-dimethylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-cycloheptyl-1,3-dimethylpyrazole-4,5-diamine is Cc1nn(C)c(NC2CCCCCC2)c1N.
What is the InChIKey of 5-N-cycloheptyl-1,3-dimethylpyrazole-4,5-diamine?
The InChIKey is WYGCMSMZPIPEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-9-11(13)12(16(2)15-9)14-10-7-5-3-4-6-8-10/h10,14H,3-8,13H2,1-2H3.
What are the key properties of 5-N-cycloheptyl-1,3-dimethylpyrazole-4,5-diamine?
5-N-cycloheptyl-1,3-dimethylpyrazole-4,5-diamine has a molecular weight of 222.34 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-cycloheptyl-1,3-dimethylpyrazole-4,5-diamine is sourced from PubChem (CID 43554231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).