methyl 1-amino-2-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylate

C16H27N3O2 — CID 79573077

IUPACmethyl 1-amino-2-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylate
SMILESCCc1c(C)nn(CCC2CCCC2(N)C(=O)OC)c1C
InChIInChI=1S/C16H27N3O2/c1-5-14-11(2)18-19(12(14)3)10-8-13-7-6-9-16(13,17)15(20)21-4/h13H,5-10,17H2,1-4H3
InChIKeyIVARZPGMTLKFDS-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.12
Rot. Bonds5

About methyl 1-amino-2-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylate

methyl 1-amino-2-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylate (PubChem CID 79573077) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is methyl 1-amino-2-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-amino-2-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylate
PubChem CID79573077
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Namemethyl 1-amino-2-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylate
SMILESCCc1c(C)nn(CCC2CCCC2(N)C(=O)OC)c1C
InChIInChI=1S/C16H27N3O2/c1-5-14-11(2)18-19(12(14)3)10-8-13-7-6-9-16(13,17)15(20)21-4/h13H,5-10,17H2,1-4H3
InChIKeyIVARZPGMTLKFDS-UHFFFAOYSA-N
XLogP2.12
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-amino-2-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-amino-2-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylate (CID 79573077) is methyl 1-amino-2-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-amino-2-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-amino-2-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylate is CCc1c(C)nn(CCC2CCCC2(N)C(=O)OC)c1C.
What is the InChIKey of methyl 1-amino-2-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylate?
The InChIKey is IVARZPGMTLKFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-5-14-11(2)18-19(12(14)3)10-8-13-7-6-9-16(13,17)15(20)21-4/h13H,5-10,17H2,1-4H3.
What are the key properties of methyl 1-amino-2-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylate?
methyl 1-amino-2-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylate has a molecular weight of 293.41 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-amino-2-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 79573077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).