methyl 5-amino-1-cyclohexyl-3-[ethyl(methyl)amino]pyrazole-4-carboxylate

C14H24N4O2 — CID 102808760

IUPACmethyl 5-amino-1-cyclohexyl-3-[ethyl(methyl)amino]pyrazole-4-carboxylate
SMILESCCN(C)c1nn(C2CCCCC2)c(N)c1C(=O)OC
InChIInChI=1S/C14H24N4O2/c1-4-17(2)13-11(14(19)20-3)12(15)18(16-13)10-8-6-5-7-9-10/h10H,4-9,15H2,1-3H3
InChIKeyLTIOAFZINUHUFU-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.21
Rot. Bonds4

About methyl 5-amino-1-cyclohexyl-3-[ethyl(methyl)amino]pyrazole-4-carboxylate

methyl 5-amino-1-cyclohexyl-3-[ethyl(methyl)amino]pyrazole-4-carboxylate (PubChem CID 102808760) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is methyl 5-amino-1-cyclohexyl-3-[ethyl(methyl)amino]pyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-1-cyclohexyl-3-[ethyl(methyl)amino]pyrazole-4-carboxylate
PubChem CID102808760
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Namemethyl 5-amino-1-cyclohexyl-3-[ethyl(methyl)amino]pyrazole-4-carboxylate
SMILESCCN(C)c1nn(C2CCCCC2)c(N)c1C(=O)OC
InChIInChI=1S/C14H24N4O2/c1-4-17(2)13-11(14(19)20-3)12(15)18(16-13)10-8-6-5-7-9-10/h10H,4-9,15H2,1-3H3
InChIKeyLTIOAFZINUHUFU-UHFFFAOYSA-N
XLogP2.21
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-1-cyclohexyl-3-[ethyl(methyl)amino]pyrazole-4-carboxylate?
The IUPAC name of methyl 5-amino-1-cyclohexyl-3-[ethyl(methyl)amino]pyrazole-4-carboxylate (CID 102808760) is methyl 5-amino-1-cyclohexyl-3-[ethyl(methyl)amino]pyrazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-1-cyclohexyl-3-[ethyl(methyl)amino]pyrazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-1-cyclohexyl-3-[ethyl(methyl)amino]pyrazole-4-carboxylate is CCN(C)c1nn(C2CCCCC2)c(N)c1C(=O)OC.
What is the InChIKey of methyl 5-amino-1-cyclohexyl-3-[ethyl(methyl)amino]pyrazole-4-carboxylate?
The InChIKey is LTIOAFZINUHUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-4-17(2)13-11(14(19)20-3)12(15)18(16-13)10-8-6-5-7-9-10/h10H,4-9,15H2,1-3H3.
What are the key properties of methyl 5-amino-1-cyclohexyl-3-[ethyl(methyl)amino]pyrazole-4-carboxylate?
methyl 5-amino-1-cyclohexyl-3-[ethyl(methyl)amino]pyrazole-4-carboxylate has a molecular weight of 280.37 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-1-cyclohexyl-3-[ethyl(methyl)amino]pyrazole-4-carboxylate is sourced from PubChem (CID 102808760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).