5-cyclohexyl-N,1-dimethylpyrazol-3-amine

C11H19N3 — CID 116827500

IUPAC5-cyclohexyl-N,1-dimethylpyrazol-3-amine
SMILESCNc1cc(C2CCCCC2)n(C)n1
InChIInChI=1S/C11H19N3/c1-12-11-8-10(14(2)13-11)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyYXKGAVJCMYNTQE-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.51
Rot. Bonds2

About 5-cyclohexyl-N,1-dimethylpyrazol-3-amine

5-cyclohexyl-N,1-dimethylpyrazol-3-amine (PubChem CID 116827500) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 5-cyclohexyl-N,1-dimethylpyrazol-3-amine.

Molecular Properties

Compound Name5-cyclohexyl-N,1-dimethylpyrazol-3-amine
PubChem CID116827500
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name5-cyclohexyl-N,1-dimethylpyrazol-3-amine
SMILESCNc1cc(C2CCCCC2)n(C)n1
InChIInChI=1S/C11H19N3/c1-12-11-8-10(14(2)13-11)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyYXKGAVJCMYNTQE-UHFFFAOYSA-N
XLogP2.51
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-N,1-dimethylpyrazol-3-amine?
The IUPAC name of 5-cyclohexyl-N,1-dimethylpyrazol-3-amine (CID 116827500) is 5-cyclohexyl-N,1-dimethylpyrazol-3-amine.
What is the SMILES notation for 5-cyclohexyl-N,1-dimethylpyrazol-3-amine?
The canonical SMILES for 5-cyclohexyl-N,1-dimethylpyrazol-3-amine is CNc1cc(C2CCCCC2)n(C)n1.
What is the InChIKey of 5-cyclohexyl-N,1-dimethylpyrazol-3-amine?
The InChIKey is YXKGAVJCMYNTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-12-11-8-10(14(2)13-11)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 5-cyclohexyl-N,1-dimethylpyrazol-3-amine?
5-cyclohexyl-N,1-dimethylpyrazol-3-amine has a molecular weight of 193.29 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-N,1-dimethylpyrazol-3-amine is sourced from PubChem (CID 116827500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).