(3-methoxycyclohexyl) 4-amino-1-ethylpyrazole-3-carboxylate

C13H21N3O3 — CID 65362749

IUPAC(3-methoxycyclohexyl) 4-amino-1-ethylpyrazole-3-carboxylate
SMILESCCn1cc(N)c(C(=O)OC2CCCC(OC)C2)n1
InChIInChI=1S/C13H21N3O3/c1-3-16-8-11(14)12(15-16)13(17)19-10-6-4-5-9(7-10)18-2/h8-10H,3-7,14H2,1-2H3
InChIKeySNYDPKXKJOVWAG-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.60
Rot. Bonds4

About (3-methoxycyclohexyl) 4-amino-1-ethylpyrazole-3-carboxylate

(3-methoxycyclohexyl) 4-amino-1-ethylpyrazole-3-carboxylate (PubChem CID 65362749) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is (3-methoxycyclohexyl) 4-amino-1-ethylpyrazole-3-carboxylate.

Molecular Properties

Compound Name(3-methoxycyclohexyl) 4-amino-1-ethylpyrazole-3-carboxylate
PubChem CID65362749
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name(3-methoxycyclohexyl) 4-amino-1-ethylpyrazole-3-carboxylate
SMILESCCn1cc(N)c(C(=O)OC2CCCC(OC)C2)n1
InChIInChI=1S/C13H21N3O3/c1-3-16-8-11(14)12(15-16)13(17)19-10-6-4-5-9(7-10)18-2/h8-10H,3-7,14H2,1-2H3
InChIKeySNYDPKXKJOVWAG-UHFFFAOYSA-N
XLogP1.60
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-methoxycyclohexyl) 4-amino-1-ethylpyrazole-3-carboxylate?
The IUPAC name of (3-methoxycyclohexyl) 4-amino-1-ethylpyrazole-3-carboxylate (CID 65362749) is (3-methoxycyclohexyl) 4-amino-1-ethylpyrazole-3-carboxylate.
What is the SMILES notation for (3-methoxycyclohexyl) 4-amino-1-ethylpyrazole-3-carboxylate?
The canonical SMILES for (3-methoxycyclohexyl) 4-amino-1-ethylpyrazole-3-carboxylate is CCn1cc(N)c(C(=O)OC2CCCC(OC)C2)n1.
What is the InChIKey of (3-methoxycyclohexyl) 4-amino-1-ethylpyrazole-3-carboxylate?
The InChIKey is SNYDPKXKJOVWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-3-16-8-11(14)12(15-16)13(17)19-10-6-4-5-9(7-10)18-2/h8-10H,3-7,14H2,1-2H3.
What are the key properties of (3-methoxycyclohexyl) 4-amino-1-ethylpyrazole-3-carboxylate?
(3-methoxycyclohexyl) 4-amino-1-ethylpyrazole-3-carboxylate has a molecular weight of 267.33 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxycyclohexyl) 4-amino-1-ethylpyrazole-3-carboxylate is sourced from PubChem (CID 65362749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).