N-cyclohex-3-en-1-yl-1-methyl-3-propan-2-ylpyrazol-5-amine

C13H21N3 — CID 69161982

IUPACN-cyclohex-3-en-1-yl-1-methyl-3-propan-2-ylpyrazol-5-amine
SMILESCC(C)c1cc(NC2CC=CCC2)n(C)n1
InChIInChI=1S/C13H21N3/c1-10(2)12-9-13(16(3)15-12)14-11-7-5-4-6-8-11/h4-5,9-11,14H,6-8H2,1-3H3
InChIKeyLVGCUSGBDASYQA-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.06
Rot. Bonds3

About N-cyclohex-3-en-1-yl-1-methyl-3-propan-2-ylpyrazol-5-amine

N-cyclohex-3-en-1-yl-1-methyl-3-propan-2-ylpyrazol-5-amine (PubChem CID 69161982) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is N-cyclohex-3-en-1-yl-1-methyl-3-propan-2-ylpyrazol-5-amine.

Molecular Properties

Compound NameN-cyclohex-3-en-1-yl-1-methyl-3-propan-2-ylpyrazol-5-amine
PubChem CID69161982
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC NameN-cyclohex-3-en-1-yl-1-methyl-3-propan-2-ylpyrazol-5-amine
SMILESCC(C)c1cc(NC2CC=CCC2)n(C)n1
InChIInChI=1S/C13H21N3/c1-10(2)12-9-13(16(3)15-12)14-11-7-5-4-6-8-11/h4-5,9-11,14H,6-8H2,1-3H3
InChIKeyLVGCUSGBDASYQA-UHFFFAOYSA-N
XLogP3.06
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclohex-3-en-1-yl-1-methyl-3-propan-2-ylpyrazol-5-amine?
The IUPAC name of N-cyclohex-3-en-1-yl-1-methyl-3-propan-2-ylpyrazol-5-amine (CID 69161982) is N-cyclohex-3-en-1-yl-1-methyl-3-propan-2-ylpyrazol-5-amine.
What is the SMILES notation for N-cyclohex-3-en-1-yl-1-methyl-3-propan-2-ylpyrazol-5-amine?
The canonical SMILES for N-cyclohex-3-en-1-yl-1-methyl-3-propan-2-ylpyrazol-5-amine is CC(C)c1cc(NC2CC=CCC2)n(C)n1.
What is the InChIKey of N-cyclohex-3-en-1-yl-1-methyl-3-propan-2-ylpyrazol-5-amine?
The InChIKey is LVGCUSGBDASYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-10(2)12-9-13(16(3)15-12)14-11-7-5-4-6-8-11/h4-5,9-11,14H,6-8H2,1-3H3.
What are the key properties of N-cyclohex-3-en-1-yl-1-methyl-3-propan-2-ylpyrazol-5-amine?
N-cyclohex-3-en-1-yl-1-methyl-3-propan-2-ylpyrazol-5-amine has a molecular weight of 219.33 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohex-3-en-1-yl-1-methyl-3-propan-2-ylpyrazol-5-amine is sourced from PubChem (CID 69161982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).