1-ethyl-5-N-(4-ethylcyclohexyl)-5-N,3-dimethylpyrazole-4,5-diamine

C15H28N4 — CID 66013415

IUPAC1-ethyl-5-N-(4-ethylcyclohexyl)-5-N,3-dimethylpyrazole-4,5-diamine
SMILESCCC1CCC(N(C)c2c(N)c(C)nn2CC)CC1
InChIInChI=1S/C15H28N4/c1-5-12-7-9-13(10-8-12)18(4)15-14(16)11(3)17-19(15)6-2/h12-13H,5-10,16H2,1-4H3
InChIKeyPKFJDKAOXXDVGC-UHFFFAOYSA-N
MW264.42 g/mol
LogP3.20
Rot. Bonds4

About 1-ethyl-5-N-(4-ethylcyclohexyl)-5-N,3-dimethylpyrazole-4,5-diamine

1-ethyl-5-N-(4-ethylcyclohexyl)-5-N,3-dimethylpyrazole-4,5-diamine (PubChem CID 66013415) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 1-ethyl-5-N-(4-ethylcyclohexyl)-5-N,3-dimethylpyrazole-4,5-diamine.

Molecular Properties

Compound Name1-ethyl-5-N-(4-ethylcyclohexyl)-5-N,3-dimethylpyrazole-4,5-diamine
PubChem CID66013415
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name1-ethyl-5-N-(4-ethylcyclohexyl)-5-N,3-dimethylpyrazole-4,5-diamine
SMILESCCC1CCC(N(C)c2c(N)c(C)nn2CC)CC1
InChIInChI=1S/C15H28N4/c1-5-12-7-9-13(10-8-12)18(4)15-14(16)11(3)17-19(15)6-2/h12-13H,5-10,16H2,1-4H3
InChIKeyPKFJDKAOXXDVGC-UHFFFAOYSA-N
XLogP3.20
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-N-(4-ethylcyclohexyl)-5-N,3-dimethylpyrazole-4,5-diamine?
The IUPAC name of 1-ethyl-5-N-(4-ethylcyclohexyl)-5-N,3-dimethylpyrazole-4,5-diamine (CID 66013415) is 1-ethyl-5-N-(4-ethylcyclohexyl)-5-N,3-dimethylpyrazole-4,5-diamine.
What is the SMILES notation for 1-ethyl-5-N-(4-ethylcyclohexyl)-5-N,3-dimethylpyrazole-4,5-diamine?
The canonical SMILES for 1-ethyl-5-N-(4-ethylcyclohexyl)-5-N,3-dimethylpyrazole-4,5-diamine is CCC1CCC(N(C)c2c(N)c(C)nn2CC)CC1.
What is the InChIKey of 1-ethyl-5-N-(4-ethylcyclohexyl)-5-N,3-dimethylpyrazole-4,5-diamine?
The InChIKey is PKFJDKAOXXDVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-5-12-7-9-13(10-8-12)18(4)15-14(16)11(3)17-19(15)6-2/h12-13H,5-10,16H2,1-4H3.
What are the key properties of 1-ethyl-5-N-(4-ethylcyclohexyl)-5-N,3-dimethylpyrazole-4,5-diamine?
1-ethyl-5-N-(4-ethylcyclohexyl)-5-N,3-dimethylpyrazole-4,5-diamine has a molecular weight of 264.42 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-N-(4-ethylcyclohexyl)-5-N,3-dimethylpyrazole-4,5-diamine is sourced from PubChem (CID 66013415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).