methyl 1-amino-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)cyclopentane-1-carboxylate

C14H23N3O2 — CID 79650897

IUPACmethyl 1-amino-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)cyclopentane-1-carboxylate
SMILESCCc1c(C)nn(C2CCC(N)(C(=O)OC)C2)c1C
InChIInChI=1S/C14H23N3O2/c1-5-12-9(2)16-17(10(12)3)11-6-7-14(15,8-11)13(18)19-4/h11H,5-8,15H2,1-4H3
InChIKeyIQPSKQDBQAGLDJ-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.66
Rot. Bonds3

About methyl 1-amino-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)cyclopentane-1-carboxylate

methyl 1-amino-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)cyclopentane-1-carboxylate (PubChem CID 79650897) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is methyl 1-amino-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-amino-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)cyclopentane-1-carboxylate
PubChem CID79650897
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Namemethyl 1-amino-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)cyclopentane-1-carboxylate
SMILESCCc1c(C)nn(C2CCC(N)(C(=O)OC)C2)c1C
InChIInChI=1S/C14H23N3O2/c1-5-12-9(2)16-17(10(12)3)11-6-7-14(15,8-11)13(18)19-4/h11H,5-8,15H2,1-4H3
InChIKeyIQPSKQDBQAGLDJ-UHFFFAOYSA-N
XLogP1.66
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 ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-amino-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-amino-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)cyclopentane-1-carboxylate (CID 79650897) is methyl 1-amino-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-amino-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-amino-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)cyclopentane-1-carboxylate is CCc1c(C)nn(C2CCC(N)(C(=O)OC)C2)c1C.
What is the InChIKey of methyl 1-amino-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)cyclopentane-1-carboxylate?
The InChIKey is IQPSKQDBQAGLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-5-12-9(2)16-17(10(12)3)11-6-7-14(15,8-11)13(18)19-4/h11H,5-8,15H2,1-4H3.
What are the key properties of methyl 1-amino-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)cyclopentane-1-carboxylate?
methyl 1-amino-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)cyclopentane-1-carboxylate has a molecular weight of 265.36 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-amino-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)cyclopentane-1-carboxylate is sourced from PubChem (CID 79650897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).