4-(ethylaminomethyl)-N,1,3-trimethyl-N-(3-methylcyclohexyl)pyrazol-5-amine

C16H30N4 — CID 61447122

IUPAC4-(ethylaminomethyl)-N,1,3-trimethyl-N-(3-methylcyclohexyl)pyrazol-5-amine
SMILESCCNCc1c(C)nn(C)c1N(C)C1CCCC(C)C1
InChIInChI=1S/C16H30N4/c1-6-17-11-15-13(3)18-20(5)16(15)19(4)14-9-7-8-12(2)10-14/h12,14,17H,6-11H2,1-5H3
InChIKeyXVYIQUUEEHRXNG-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.85
Rot. Bonds5

About 4-(ethylaminomethyl)-N,1,3-trimethyl-N-(3-methylcyclohexyl)pyrazol-5-amine

4-(ethylaminomethyl)-N,1,3-trimethyl-N-(3-methylcyclohexyl)pyrazol-5-amine (PubChem CID 61447122) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 4-(ethylaminomethyl)-N,1,3-trimethyl-N-(3-methylcyclohexyl)pyrazol-5-amine.

Molecular Properties

Compound Name4-(ethylaminomethyl)-N,1,3-trimethyl-N-(3-methylcyclohexyl)pyrazol-5-amine
PubChem CID61447122
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name4-(ethylaminomethyl)-N,1,3-trimethyl-N-(3-methylcyclohexyl)pyrazol-5-amine
SMILESCCNCc1c(C)nn(C)c1N(C)C1CCCC(C)C1
InChIInChI=1S/C16H30N4/c1-6-17-11-15-13(3)18-20(5)16(15)19(4)14-9-7-8-12(2)10-14/h12,14,17H,6-11H2,1-5H3
InChIKeyXVYIQUUEEHRXNG-UHFFFAOYSA-N
XLogP2.85
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(ethylaminomethyl)-N,1,3-trimethyl-N-(3-methylcyclohexyl)pyrazol-5-amine?
The IUPAC name of 4-(ethylaminomethyl)-N,1,3-trimethyl-N-(3-methylcyclohexyl)pyrazol-5-amine (CID 61447122) is 4-(ethylaminomethyl)-N,1,3-trimethyl-N-(3-methylcyclohexyl)pyrazol-5-amine.
What is the SMILES notation for 4-(ethylaminomethyl)-N,1,3-trimethyl-N-(3-methylcyclohexyl)pyrazol-5-amine?
The canonical SMILES for 4-(ethylaminomethyl)-N,1,3-trimethyl-N-(3-methylcyclohexyl)pyrazol-5-amine is CCNCc1c(C)nn(C)c1N(C)C1CCCC(C)C1.
What is the InChIKey of 4-(ethylaminomethyl)-N,1,3-trimethyl-N-(3-methylcyclohexyl)pyrazol-5-amine?
The InChIKey is XVYIQUUEEHRXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-6-17-11-15-13(3)18-20(5)16(15)19(4)14-9-7-8-12(2)10-14/h12,14,17H,6-11H2,1-5H3.
What are the key properties of 4-(ethylaminomethyl)-N,1,3-trimethyl-N-(3-methylcyclohexyl)pyrazol-5-amine?
4-(ethylaminomethyl)-N,1,3-trimethyl-N-(3-methylcyclohexyl)pyrazol-5-amine has a molecular weight of 278.44 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylaminomethyl)-N,1,3-trimethyl-N-(3-methylcyclohexyl)pyrazol-5-amine is sourced from PubChem (CID 61447122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).