N'-(5-cyclohexyl-1H-pyrazol-4-yl)ethane-1,2-diamine

C11H20N4 — CID 117209801

IUPACN'-(5-cyclohexyl-1H-pyrazol-4-yl)ethane-1,2-diamine
SMILESNCCNc1cn[nH]c1C1CCCCC1
InChIInChI=1S/C11H20N4/c12-6-7-13-10-8-14-15-11(10)9-4-2-1-3-5-9/h8-9,13H,1-7,12H2,(H,14,15)
InChIKeyVRHKOHKZVHCEKF-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.83
Rot. Bonds4

About N'-(5-cyclohexyl-1H-pyrazol-4-yl)ethane-1,2-diamine

N'-(5-cyclohexyl-1H-pyrazol-4-yl)ethane-1,2-diamine (PubChem CID 117209801) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is N'-(5-cyclohexyl-1H-pyrazol-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(5-cyclohexyl-1H-pyrazol-4-yl)ethane-1,2-diamine
PubChem CID117209801
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC NameN'-(5-cyclohexyl-1H-pyrazol-4-yl)ethane-1,2-diamine
SMILESNCCNc1cn[nH]c1C1CCCCC1
InChIInChI=1S/C11H20N4/c12-6-7-13-10-8-14-15-11(10)9-4-2-1-3-5-9/h8-9,13H,1-7,12H2,(H,14,15)
InChIKeyVRHKOHKZVHCEKF-UHFFFAOYSA-N
XLogP1.83
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-(5-cyclohexyl-1H-pyrazol-4-yl)ethane-1,2-diamine?
The IUPAC name of N'-(5-cyclohexyl-1H-pyrazol-4-yl)ethane-1,2-diamine (CID 117209801) is N'-(5-cyclohexyl-1H-pyrazol-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(5-cyclohexyl-1H-pyrazol-4-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(5-cyclohexyl-1H-pyrazol-4-yl)ethane-1,2-diamine is NCCNc1cn[nH]c1C1CCCCC1.
What is the InChIKey of N'-(5-cyclohexyl-1H-pyrazol-4-yl)ethane-1,2-diamine?
The InChIKey is VRHKOHKZVHCEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c12-6-7-13-10-8-14-15-11(10)9-4-2-1-3-5-9/h8-9,13H,1-7,12H2,(H,14,15).
What are the key properties of N'-(5-cyclohexyl-1H-pyrazol-4-yl)ethane-1,2-diamine?
N'-(5-cyclohexyl-1H-pyrazol-4-yl)ethane-1,2-diamine has a molecular weight of 208.31 g/mol, XLogP of 1.83, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-cyclohexyl-1H-pyrazol-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 117209801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).