5-N-(3-ethyl-2-methylcyclopentyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine

C15H28N4 — CID 66012536

IUPAC5-N-(3-ethyl-2-methylcyclopentyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
SMILESCCC1CCC(Nc2c(N)c(C(C)C)nn2C)C1C
InChIInChI=1S/C15H28N4/c1-6-11-7-8-12(10(11)4)17-15-13(16)14(9(2)3)18-19(15)5/h9-12,17H,6-8,16H2,1-5H3
InChIKeyAUMPSSSPQHHDIO-UHFFFAOYSA-N
MW264.42 g/mol
LogP3.36
Rot. Bonds4

About 5-N-(3-ethyl-2-methylcyclopentyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine

5-N-(3-ethyl-2-methylcyclopentyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine (PubChem CID 66012536) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 5-N-(3-ethyl-2-methylcyclopentyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-(3-ethyl-2-methylcyclopentyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
PubChem CID66012536
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name5-N-(3-ethyl-2-methylcyclopentyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
SMILESCCC1CCC(Nc2c(N)c(C(C)C)nn2C)C1C
InChIInChI=1S/C15H28N4/c1-6-11-7-8-12(10(11)4)17-15-13(16)14(9(2)3)18-19(15)5/h9-12,17H,6-8,16H2,1-5H3
InChIKeyAUMPSSSPQHHDIO-UHFFFAOYSA-N
XLogP3.36
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-N-(3-ethyl-2-methylcyclopentyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine?
The IUPAC name of 5-N-(3-ethyl-2-methylcyclopentyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine (CID 66012536) is 5-N-(3-ethyl-2-methylcyclopentyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-(3-ethyl-2-methylcyclopentyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-(3-ethyl-2-methylcyclopentyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine is CCC1CCC(Nc2c(N)c(C(C)C)nn2C)C1C.
What is the InChIKey of 5-N-(3-ethyl-2-methylcyclopentyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine?
The InChIKey is AUMPSSSPQHHDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-6-11-7-8-12(10(11)4)17-15-13(16)14(9(2)3)18-19(15)5/h9-12,17H,6-8,16H2,1-5H3.
What are the key properties of 5-N-(3-ethyl-2-methylcyclopentyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine?
5-N-(3-ethyl-2-methylcyclopentyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine has a molecular weight of 264.42 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3-ethyl-2-methylcyclopentyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine is sourced from PubChem (CID 66012536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).