5-N-cyclohexyl-5-N-ethyl-3-methyl-1-propylpyrazole-4,5-diamine

C15H28N4 — CID 66013691

IUPAC5-N-cyclohexyl-5-N-ethyl-3-methyl-1-propylpyrazole-4,5-diamine
SMILESCCCn1nc(C)c(N)c1N(CC)C1CCCCC1
InChIInChI=1S/C15H28N4/c1-4-11-19-15(14(16)12(3)17-19)18(5-2)13-9-7-6-8-10-13/h13H,4-11,16H2,1-3H3
InChIKeyBEJYWPJIYVKDSB-UHFFFAOYSA-N
MW264.42 g/mol
LogP3.34
Rot. Bonds5

About 5-N-cyclohexyl-5-N-ethyl-3-methyl-1-propylpyrazole-4,5-diamine

5-N-cyclohexyl-5-N-ethyl-3-methyl-1-propylpyrazole-4,5-diamine (PubChem CID 66013691) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 5-N-cyclohexyl-5-N-ethyl-3-methyl-1-propylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-cyclohexyl-5-N-ethyl-3-methyl-1-propylpyrazole-4,5-diamine
PubChem CID66013691
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name5-N-cyclohexyl-5-N-ethyl-3-methyl-1-propylpyrazole-4,5-diamine
SMILESCCCn1nc(C)c(N)c1N(CC)C1CCCCC1
InChIInChI=1S/C15H28N4/c1-4-11-19-15(14(16)12(3)17-19)18(5-2)13-9-7-6-8-10-13/h13H,4-11,16H2,1-3H3
InChIKeyBEJYWPJIYVKDSB-UHFFFAOYSA-N
XLogP3.34
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-N-cyclohexyl-5-N-ethyl-3-methyl-1-propylpyrazole-4,5-diamine?
The IUPAC name of 5-N-cyclohexyl-5-N-ethyl-3-methyl-1-propylpyrazole-4,5-diamine (CID 66013691) is 5-N-cyclohexyl-5-N-ethyl-3-methyl-1-propylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-cyclohexyl-5-N-ethyl-3-methyl-1-propylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-cyclohexyl-5-N-ethyl-3-methyl-1-propylpyrazole-4,5-diamine is CCCn1nc(C)c(N)c1N(CC)C1CCCCC1.
What is the InChIKey of 5-N-cyclohexyl-5-N-ethyl-3-methyl-1-propylpyrazole-4,5-diamine?
The InChIKey is BEJYWPJIYVKDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-4-11-19-15(14(16)12(3)17-19)18(5-2)13-9-7-6-8-10-13/h13H,4-11,16H2,1-3H3.
What are the key properties of 5-N-cyclohexyl-5-N-ethyl-3-methyl-1-propylpyrazole-4,5-diamine?
5-N-cyclohexyl-5-N-ethyl-3-methyl-1-propylpyrazole-4,5-diamine has a molecular weight of 264.42 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-cyclohexyl-5-N-ethyl-3-methyl-1-propylpyrazole-4,5-diamine is sourced from PubChem (CID 66013691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).