1-(methylamino)-2-[2-(3-methylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylic acid

C13H21N3O2 — CID 79571998

IUPAC1-(methylamino)-2-[2-(3-methylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylic acid
SMILESCNC1(C(=O)O)CCCC1CCn1ccc(C)n1
InChIInChI=1S/C13H21N3O2/c1-10-5-8-16(15-10)9-6-11-4-3-7-13(11,14-2)12(17)18/h5,8,11,14H,3-4,6-7,9H2,1-2H3,(H,17,18)
InChIKeyTYZNPBIMHWGTMM-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.42
Rot. Bonds5

About 1-(methylamino)-2-[2-(3-methylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylic acid

1-(methylamino)-2-[2-(3-methylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylic acid (PubChem CID 79571998) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-(methylamino)-2-[2-(3-methylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(methylamino)-2-[2-(3-methylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylic acid
PubChem CID79571998
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name1-(methylamino)-2-[2-(3-methylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylic acid
SMILESCNC1(C(=O)O)CCCC1CCn1ccc(C)n1
InChIInChI=1S/C13H21N3O2/c1-10-5-8-16(15-10)9-6-11-4-3-7-13(11,14-2)12(17)18/h5,8,11,14H,3-4,6-7,9H2,1-2H3,(H,17,18)
InChIKeyTYZNPBIMHWGTMM-UHFFFAOYSA-N
XLogP1.42
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-2-[2-(3-methylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(methylamino)-2-[2-(3-methylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylic acid (CID 79571998) is 1-(methylamino)-2-[2-(3-methylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(methylamino)-2-[2-(3-methylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(methylamino)-2-[2-(3-methylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylic acid is CNC1(C(=O)O)CCCC1CCn1ccc(C)n1.
What is the InChIKey of 1-(methylamino)-2-[2-(3-methylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylic acid?
The InChIKey is TYZNPBIMHWGTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-10-5-8-16(15-10)9-6-11-4-3-7-13(11,14-2)12(17)18/h5,8,11,14H,3-4,6-7,9H2,1-2H3,(H,17,18).
What are the key properties of 1-(methylamino)-2-[2-(3-methylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylic acid?
1-(methylamino)-2-[2-(3-methylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylic acid has a molecular weight of 251.33 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-2-[2-(3-methylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79571998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).