ethyl 2-[1-[2-(1,3,5-trimethylpyrazol-4-yl)ethylcarbamoylamino]cyclohexyl]acetate

C19H32N4O3 — CID 53086242

IUPACethyl 2-[1-[2-(1,3,5-trimethylpyrazol-4-yl)ethylcarbamoylamino]cyclohexyl]acetate
SMILESCCOC(=O)CC1(NC(=O)NCCc2c(C)nn(C)c2C)CCCCC1
InChIInChI=1S/C19H32N4O3/c1-5-26-17(24)13-19(10-7-6-8-11-19)21-18(25)20-12-9-16-14(2)22-23(4)15(16)3/h5-13H2,1-4H3,(H2,20,21,25)
InChIKeyNZFORBIVRDIRSI-UHFFFAOYSA-N
MW364.49 g/mol
LogP2.53
Rot. Bonds7

About ethyl 2-[1-[2-(1,3,5-trimethylpyrazol-4-yl)ethylcarbamoylamino]cyclohexyl]acetate

ethyl 2-[1-[2-(1,3,5-trimethylpyrazol-4-yl)ethylcarbamoylamino]cyclohexyl]acetate (PubChem CID 53086242) has the molecular formula C19H32N4O3 and a molecular weight of 364.49 g/mol. Its IUPAC name is ethyl 2-[1-[2-(1,3,5-trimethylpyrazol-4-yl)ethylcarbamoylamino]cyclohexyl]acetate.

Molecular Properties

Compound Nameethyl 2-[1-[2-(1,3,5-trimethylpyrazol-4-yl)ethylcarbamoylamino]cyclohexyl]acetate
PubChem CID53086242
Molecular FormulaC19H32N4O3
Molecular Weight364.49 g/mol
Exact Mass364.25
IUPAC Nameethyl 2-[1-[2-(1,3,5-trimethylpyrazol-4-yl)ethylcarbamoylamino]cyclohexyl]acetate
SMILESCCOC(=O)CC1(NC(=O)NCCc2c(C)nn(C)c2C)CCCCC1
InChIInChI=1S/C19H32N4O3/c1-5-26-17(24)13-19(10-7-6-8-11-19)21-18(25)20-12-9-16-14(2)22-23(4)15(16)3/h5-13H2,1-4H3,(H2,20,21,25)
InChIKeyNZFORBIVRDIRSI-UHFFFAOYSA-N
XLogP2.53
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-[2-(1,3,5-trimethylpyrazol-4-yl)ethylcarbamoylamino]cyclohexyl]acetate?
The IUPAC name of ethyl 2-[1-[2-(1,3,5-trimethylpyrazol-4-yl)ethylcarbamoylamino]cyclohexyl]acetate (CID 53086242) is ethyl 2-[1-[2-(1,3,5-trimethylpyrazol-4-yl)ethylcarbamoylamino]cyclohexyl]acetate.
What is the SMILES notation for ethyl 2-[1-[2-(1,3,5-trimethylpyrazol-4-yl)ethylcarbamoylamino]cyclohexyl]acetate?
The canonical SMILES for ethyl 2-[1-[2-(1,3,5-trimethylpyrazol-4-yl)ethylcarbamoylamino]cyclohexyl]acetate is CCOC(=O)CC1(NC(=O)NCCc2c(C)nn(C)c2C)CCCCC1.
What is the InChIKey of ethyl 2-[1-[2-(1,3,5-trimethylpyrazol-4-yl)ethylcarbamoylamino]cyclohexyl]acetate?
The InChIKey is NZFORBIVRDIRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O3/c1-5-26-17(24)13-19(10-7-6-8-11-19)21-18(25)20-12-9-16-14(2)22-23(4)15(16)3/h5-13H2,1-4H3,(H2,20,21,25).
What are the key properties of ethyl 2-[1-[2-(1,3,5-trimethylpyrazol-4-yl)ethylcarbamoylamino]cyclohexyl]acetate?
ethyl 2-[1-[2-(1,3,5-trimethylpyrazol-4-yl)ethylcarbamoylamino]cyclohexyl]acetate has a molecular weight of 364.49 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-[2-(1,3,5-trimethylpyrazol-4-yl)ethylcarbamoylamino]cyclohexyl]acetate is sourced from PubChem (CID 53086242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).