1-(4,4-dimethylcycloheptyl)-4-methylpyrazol-5-amine

C13H23N3 — CID 65088454

IUPAC1-(4,4-dimethylcycloheptyl)-4-methylpyrazol-5-amine
SMILESCc1cnn(C2CCCC(C)(C)CC2)c1N
InChIInChI=1S/C13H23N3/c1-10-9-15-16(12(10)14)11-5-4-7-13(2,3)8-6-11/h9,11H,4-8,14H2,1-3H3
InChIKeyVBUGNADBDSLKAC-UHFFFAOYSA-N
MW221.35 g/mol
LogP3.31
Rot. Bonds1

About 1-(4,4-dimethylcycloheptyl)-4-methylpyrazol-5-amine

1-(4,4-dimethylcycloheptyl)-4-methylpyrazol-5-amine (PubChem CID 65088454) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 1-(4,4-dimethylcycloheptyl)-4-methylpyrazol-5-amine.

Molecular Properties

Compound Name1-(4,4-dimethylcycloheptyl)-4-methylpyrazol-5-amine
PubChem CID65088454
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name1-(4,4-dimethylcycloheptyl)-4-methylpyrazol-5-amine
SMILESCc1cnn(C2CCCC(C)(C)CC2)c1N
InChIInChI=1S/C13H23N3/c1-10-9-15-16(12(10)14)11-5-4-7-13(2,3)8-6-11/h9,11H,4-8,14H2,1-3H3
InChIKeyVBUGNADBDSLKAC-UHFFFAOYSA-N
XLogP3.31
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylcycloheptyl)-4-methylpyrazol-5-amine?
The IUPAC name of 1-(4,4-dimethylcycloheptyl)-4-methylpyrazol-5-amine (CID 65088454) is 1-(4,4-dimethylcycloheptyl)-4-methylpyrazol-5-amine.
What is the SMILES notation for 1-(4,4-dimethylcycloheptyl)-4-methylpyrazol-5-amine?
The canonical SMILES for 1-(4,4-dimethylcycloheptyl)-4-methylpyrazol-5-amine is Cc1cnn(C2CCCC(C)(C)CC2)c1N.
What is the InChIKey of 1-(4,4-dimethylcycloheptyl)-4-methylpyrazol-5-amine?
The InChIKey is VBUGNADBDSLKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-10-9-15-16(12(10)14)11-5-4-7-13(2,3)8-6-11/h9,11H,4-8,14H2,1-3H3.
What are the key properties of 1-(4,4-dimethylcycloheptyl)-4-methylpyrazol-5-amine?
1-(4,4-dimethylcycloheptyl)-4-methylpyrazol-5-amine has a molecular weight of 221.35 g/mol, XLogP of 3.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylcycloheptyl)-4-methylpyrazol-5-amine is sourced from PubChem (CID 65088454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).