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

C13H21N3O2 — CID 79651043

IUPACmethyl 1-amino-3-(3,4,5-trimethylpyrazol-1-yl)cyclopentane-1-carboxylate
SMILESCOC(=O)C1(N)CCC(n2nc(C)c(C)c2C)C1
InChIInChI=1S/C13H21N3O2/c1-8-9(2)15-16(10(8)3)11-5-6-13(14,7-11)12(17)18-4/h11H,5-7,14H2,1-4H3
InChIKeyPRDUQZWCHYPTEY-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.40
Rot. Bonds2

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

methyl 1-amino-3-(3,4,5-trimethylpyrazol-1-yl)cyclopentane-1-carboxylate (PubChem CID 79651043) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is methyl 1-amino-3-(3,4,5-trimethylpyrazol-1-yl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-amino-3-(3,4,5-trimethylpyrazol-1-yl)cyclopentane-1-carboxylate
PubChem CID79651043
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Namemethyl 1-amino-3-(3,4,5-trimethylpyrazol-1-yl)cyclopentane-1-carboxylate
SMILESCOC(=O)C1(N)CCC(n2nc(C)c(C)c2C)C1
InChIInChI=1S/C13H21N3O2/c1-8-9(2)15-16(10(8)3)11-5-6-13(14,7-11)12(17)18-4/h11H,5-7,14H2,1-4H3
InChIKeyPRDUQZWCHYPTEY-UHFFFAOYSA-N
XLogP1.40
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.40
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-(3,4,5-trimethylpyrazol-1-yl)cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-amino-3-(3,4,5-trimethylpyrazol-1-yl)cyclopentane-1-carboxylate (CID 79651043) is methyl 1-amino-3-(3,4,5-trimethylpyrazol-1-yl)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-amino-3-(3,4,5-trimethylpyrazol-1-yl)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-amino-3-(3,4,5-trimethylpyrazol-1-yl)cyclopentane-1-carboxylate is COC(=O)C1(N)CCC(n2nc(C)c(C)c2C)C1.
What is the InChIKey of methyl 1-amino-3-(3,4,5-trimethylpyrazol-1-yl)cyclopentane-1-carboxylate?
The InChIKey is PRDUQZWCHYPTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-8-9(2)15-16(10(8)3)11-5-6-13(14,7-11)12(17)18-4/h11H,5-7,14H2,1-4H3.
What are the key properties of methyl 1-amino-3-(3,4,5-trimethylpyrazol-1-yl)cyclopentane-1-carboxylate?
methyl 1-amino-3-(3,4,5-trimethylpyrazol-1-yl)cyclopentane-1-carboxylate has a molecular weight of 251.33 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-amino-3-(3,4,5-trimethylpyrazol-1-yl)cyclopentane-1-carboxylate is sourced from PubChem (CID 79651043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).