4-N-(2-ethylcyclohexyl)-1H-pyrazole-4,5-diamine

C11H20N4 — CID 82236948

IUPAC4-N-(2-ethylcyclohexyl)-1H-pyrazole-4,5-diamine
SMILESCCC1CCCCC1Nc1cn[nH]c1N
InChIInChI=1S/C11H20N4/c1-2-8-5-3-4-6-9(8)14-10-7-13-15-11(10)12/h7-9,14H,2-6H2,1H3,(H3,12,13,15)
InChIKeyROHACLHTXXKYKZ-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.37
Rot. Bonds3

About 4-N-(2-ethylcyclohexyl)-1H-pyrazole-4,5-diamine

4-N-(2-ethylcyclohexyl)-1H-pyrazole-4,5-diamine (PubChem CID 82236948) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 4-N-(2-ethylcyclohexyl)-1H-pyrazole-4,5-diamine.

Molecular Properties

Compound Name4-N-(2-ethylcyclohexyl)-1H-pyrazole-4,5-diamine
PubChem CID82236948
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name4-N-(2-ethylcyclohexyl)-1H-pyrazole-4,5-diamine
SMILESCCC1CCCCC1Nc1cn[nH]c1N
InChIInChI=1S/C11H20N4/c1-2-8-5-3-4-6-9(8)14-10-7-13-15-11(10)12/h7-9,14H,2-6H2,1H3,(H3,12,13,15)
InChIKeyROHACLHTXXKYKZ-UHFFFAOYSA-N
XLogP2.37
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2-ethylcyclohexyl)-1H-pyrazole-4,5-diamine?
The IUPAC name of 4-N-(2-ethylcyclohexyl)-1H-pyrazole-4,5-diamine (CID 82236948) is 4-N-(2-ethylcyclohexyl)-1H-pyrazole-4,5-diamine.
What is the SMILES notation for 4-N-(2-ethylcyclohexyl)-1H-pyrazole-4,5-diamine?
The canonical SMILES for 4-N-(2-ethylcyclohexyl)-1H-pyrazole-4,5-diamine is CCC1CCCCC1Nc1cn[nH]c1N.
What is the InChIKey of 4-N-(2-ethylcyclohexyl)-1H-pyrazole-4,5-diamine?
The InChIKey is ROHACLHTXXKYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-2-8-5-3-4-6-9(8)14-10-7-13-15-11(10)12/h7-9,14H,2-6H2,1H3,(H3,12,13,15).
What are the key properties of 4-N-(2-ethylcyclohexyl)-1H-pyrazole-4,5-diamine?
4-N-(2-ethylcyclohexyl)-1H-pyrazole-4,5-diamine has a molecular weight of 208.31 g/mol, XLogP of 2.37, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-ethylcyclohexyl)-1H-pyrazole-4,5-diamine is sourced from PubChem (CID 82236948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).