(3,5-dimethylcyclohexyl) 4-amino-1,3-dimethylpyrazole-5-carboxylate

C14H23N3O2 — CID 66124416

IUPAC(3,5-dimethylcyclohexyl) 4-amino-1,3-dimethylpyrazole-5-carboxylate
SMILESCc1nn(C)c(C(=O)OC2CC(C)CC(C)C2)c1N
InChIInChI=1S/C14H23N3O2/c1-8-5-9(2)7-11(6-8)19-14(18)13-12(15)10(3)16-17(13)4/h8-9,11H,5-7,15H2,1-4H3
InChIKeyGXBLQXICEUHZLT-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.29
Rot. Bonds2

About (3,5-dimethylcyclohexyl) 4-amino-1,3-dimethylpyrazole-5-carboxylate

(3,5-dimethylcyclohexyl) 4-amino-1,3-dimethylpyrazole-5-carboxylate (PubChem CID 66124416) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is (3,5-dimethylcyclohexyl) 4-amino-1,3-dimethylpyrazole-5-carboxylate.

Molecular Properties

Compound Name(3,5-dimethylcyclohexyl) 4-amino-1,3-dimethylpyrazole-5-carboxylate
PubChem CID66124416
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name(3,5-dimethylcyclohexyl) 4-amino-1,3-dimethylpyrazole-5-carboxylate
SMILESCc1nn(C)c(C(=O)OC2CC(C)CC(C)C2)c1N
InChIInChI=1S/C14H23N3O2/c1-8-5-9(2)7-11(6-8)19-14(18)13-12(15)10(3)16-17(13)4/h8-9,11H,5-7,15H2,1-4H3
InChIKeyGXBLQXICEUHZLT-UHFFFAOYSA-N
XLogP2.29
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylcyclohexyl) 4-amino-1,3-dimethylpyrazole-5-carboxylate?
The IUPAC name of (3,5-dimethylcyclohexyl) 4-amino-1,3-dimethylpyrazole-5-carboxylate (CID 66124416) is (3,5-dimethylcyclohexyl) 4-amino-1,3-dimethylpyrazole-5-carboxylate.
What is the SMILES notation for (3,5-dimethylcyclohexyl) 4-amino-1,3-dimethylpyrazole-5-carboxylate?
The canonical SMILES for (3,5-dimethylcyclohexyl) 4-amino-1,3-dimethylpyrazole-5-carboxylate is Cc1nn(C)c(C(=O)OC2CC(C)CC(C)C2)c1N.
What is the InChIKey of (3,5-dimethylcyclohexyl) 4-amino-1,3-dimethylpyrazole-5-carboxylate?
The InChIKey is GXBLQXICEUHZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-8-5-9(2)7-11(6-8)19-14(18)13-12(15)10(3)16-17(13)4/h8-9,11H,5-7,15H2,1-4H3.
What are the key properties of (3,5-dimethylcyclohexyl) 4-amino-1,3-dimethylpyrazole-5-carboxylate?
(3,5-dimethylcyclohexyl) 4-amino-1,3-dimethylpyrazole-5-carboxylate has a molecular weight of 265.36 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylcyclohexyl) 4-amino-1,3-dimethylpyrazole-5-carboxylate is sourced from PubChem (CID 66124416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).