[4-(ethylcarbamoylamino)cyclohexyl] 1-tert-butyl-3-cyclopropylpyrazole-5-carboxylate

C20H32N4O3 — CID 47591585

IUPAC[4-(ethylcarbamoylamino)cyclohexyl] 1-tert-butyl-3-cyclopropylpyrazole-5-carboxylate
SMILESCCNC(=O)NC1CCC(OC(=O)c2cc(C3CC3)nn2C(C)(C)C)CC1
InChIInChI=1S/C20H32N4O3/c1-5-21-19(26)22-14-8-10-15(11-9-14)27-18(25)17-12-16(13-6-7-13)23-24(17)20(2,3)4/h12-15H,5-11H2,1-4H3,(H2,21,22,26)
InChIKeyPFFQCCYQOYAING-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.30
Rot. Bonds5

About [4-(ethylcarbamoylamino)cyclohexyl] 1-tert-butyl-3-cyclopropylpyrazole-5-carboxylate

[4-(ethylcarbamoylamino)cyclohexyl] 1-tert-butyl-3-cyclopropylpyrazole-5-carboxylate (PubChem CID 47591585) has the molecular formula C20H32N4O3 and a molecular weight of 376.50 g/mol. Its IUPAC name is [4-(ethylcarbamoylamino)cyclohexyl] 1-tert-butyl-3-cyclopropylpyrazole-5-carboxylate.

Molecular Properties

Compound Name[4-(ethylcarbamoylamino)cyclohexyl] 1-tert-butyl-3-cyclopropylpyrazole-5-carboxylate
PubChem CID47591585
Molecular FormulaC20H32N4O3
Molecular Weight376.50 g/mol
Exact Mass376.25
IUPAC Name[4-(ethylcarbamoylamino)cyclohexyl] 1-tert-butyl-3-cyclopropylpyrazole-5-carboxylate
SMILESCCNC(=O)NC1CCC(OC(=O)c2cc(C3CC3)nn2C(C)(C)C)CC1
InChIInChI=1S/C20H32N4O3/c1-5-21-19(26)22-14-8-10-15(11-9-14)27-18(25)17-12-16(13-6-7-13)23-24(17)20(2,3)4/h12-15H,5-11H2,1-4H3,(H2,21,22,26)
InChIKeyPFFQCCYQOYAING-UHFFFAOYSA-N
XLogP3.30
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(ethylcarbamoylamino)cyclohexyl] 1-tert-butyl-3-cyclopropylpyrazole-5-carboxylate?
The IUPAC name of [4-(ethylcarbamoylamino)cyclohexyl] 1-tert-butyl-3-cyclopropylpyrazole-5-carboxylate (CID 47591585) is [4-(ethylcarbamoylamino)cyclohexyl] 1-tert-butyl-3-cyclopropylpyrazole-5-carboxylate.
What is the SMILES notation for [4-(ethylcarbamoylamino)cyclohexyl] 1-tert-butyl-3-cyclopropylpyrazole-5-carboxylate?
The canonical SMILES for [4-(ethylcarbamoylamino)cyclohexyl] 1-tert-butyl-3-cyclopropylpyrazole-5-carboxylate is CCNC(=O)NC1CCC(OC(=O)c2cc(C3CC3)nn2C(C)(C)C)CC1.
What is the InChIKey of [4-(ethylcarbamoylamino)cyclohexyl] 1-tert-butyl-3-cyclopropylpyrazole-5-carboxylate?
The InChIKey is PFFQCCYQOYAING-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O3/c1-5-21-19(26)22-14-8-10-15(11-9-14)27-18(25)17-12-16(13-6-7-13)23-24(17)20(2,3)4/h12-15H,5-11H2,1-4H3,(H2,21,22,26).
What are the key properties of [4-(ethylcarbamoylamino)cyclohexyl] 1-tert-butyl-3-cyclopropylpyrazole-5-carboxylate?
[4-(ethylcarbamoylamino)cyclohexyl] 1-tert-butyl-3-cyclopropylpyrazole-5-carboxylate has a molecular weight of 376.50 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(ethylcarbamoylamino)cyclohexyl] 1-tert-butyl-3-cyclopropylpyrazole-5-carboxylate is sourced from PubChem (CID 47591585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).