(2-methylcyclohexyl) 2-(3-aminopyrazol-1-yl)acetate

C12H19N3O2 — CID 55035459

IUPAC(2-methylcyclohexyl) 2-(3-aminopyrazol-1-yl)acetate
SMILESCC1CCCCC1OC(=O)Cn1ccc(N)n1
InChIInChI=1S/C12H19N3O2/c1-9-4-2-3-5-10(9)17-12(16)8-15-7-6-11(13)14-15/h6-7,9-10H,2-5,8H2,1H3,(H2,13,14)
InChIKeyPZSWSJGOOQZOAW-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.59
Rot. Bonds3

About (2-methylcyclohexyl) 2-(3-aminopyrazol-1-yl)acetate

(2-methylcyclohexyl) 2-(3-aminopyrazol-1-yl)acetate (PubChem CID 55035459) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is (2-methylcyclohexyl) 2-(3-aminopyrazol-1-yl)acetate.

Molecular Properties

Compound Name(2-methylcyclohexyl) 2-(3-aminopyrazol-1-yl)acetate
PubChem CID55035459
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name(2-methylcyclohexyl) 2-(3-aminopyrazol-1-yl)acetate
SMILESCC1CCCCC1OC(=O)Cn1ccc(N)n1
InChIInChI=1S/C12H19N3O2/c1-9-4-2-3-5-10(9)17-12(16)8-15-7-6-11(13)14-15/h6-7,9-10H,2-5,8H2,1H3,(H2,13,14)
InChIKeyPZSWSJGOOQZOAW-UHFFFAOYSA-N
XLogP1.59
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-methylcyclohexyl) 2-(3-aminopyrazol-1-yl)acetate?
The IUPAC name of (2-methylcyclohexyl) 2-(3-aminopyrazol-1-yl)acetate (CID 55035459) is (2-methylcyclohexyl) 2-(3-aminopyrazol-1-yl)acetate.
What is the SMILES notation for (2-methylcyclohexyl) 2-(3-aminopyrazol-1-yl)acetate?
The canonical SMILES for (2-methylcyclohexyl) 2-(3-aminopyrazol-1-yl)acetate is CC1CCCCC1OC(=O)Cn1ccc(N)n1.
What is the InChIKey of (2-methylcyclohexyl) 2-(3-aminopyrazol-1-yl)acetate?
The InChIKey is PZSWSJGOOQZOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9-4-2-3-5-10(9)17-12(16)8-15-7-6-11(13)14-15/h6-7,9-10H,2-5,8H2,1H3,(H2,13,14).
What are the key properties of (2-methylcyclohexyl) 2-(3-aminopyrazol-1-yl)acetate?
(2-methylcyclohexyl) 2-(3-aminopyrazol-1-yl)acetate has a molecular weight of 237.30 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylcyclohexyl) 2-(3-aminopyrazol-1-yl)acetate is sourced from PubChem (CID 55035459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).