cycloheptyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate

C14H23N3O2 — CID 66124109

IUPACcycloheptyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate
SMILESCCn1nc(C)c(N)c1C(=O)OC1CCCCCC1
InChIInChI=1S/C14H23N3O2/c1-3-17-13(12(15)10(2)16-17)14(18)19-11-8-6-4-5-7-9-11/h11H,3-9,15H2,1-2H3
InChIKeyNOHDUURHQZRGFV-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.67
Rot. Bonds3

About cycloheptyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate

cycloheptyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate (PubChem CID 66124109) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is cycloheptyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate.

Molecular Properties

Compound Namecycloheptyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate
PubChem CID66124109
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Namecycloheptyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate
SMILESCCn1nc(C)c(N)c1C(=O)OC1CCCCCC1
InChIInChI=1S/C14H23N3O2/c1-3-17-13(12(15)10(2)16-17)14(18)19-11-8-6-4-5-7-9-11/h11H,3-9,15H2,1-2H3
InChIKeyNOHDUURHQZRGFV-UHFFFAOYSA-N
XLogP2.67
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cycloheptyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate?
The IUPAC name of cycloheptyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate (CID 66124109) is cycloheptyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate.
What is the SMILES notation for cycloheptyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate?
The canonical SMILES for cycloheptyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate is CCn1nc(C)c(N)c1C(=O)OC1CCCCCC1.
What is the InChIKey of cycloheptyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate?
The InChIKey is NOHDUURHQZRGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-3-17-13(12(15)10(2)16-17)14(18)19-11-8-6-4-5-7-9-11/h11H,3-9,15H2,1-2H3.
What are the key properties of cycloheptyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate?
cycloheptyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate has a molecular weight of 265.36 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate is sourced from PubChem (CID 66124109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).