ethyl 4-(4-aminopyrazol-1-yl)cyclohexane-1-carboxylate

C12H19N3O2 — CID 118456724

IUPACethyl 4-(4-aminopyrazol-1-yl)cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(n2cc(N)cn2)CC1
InChIInChI=1S/C12H19N3O2/c1-2-17-12(16)9-3-5-11(6-4-9)15-8-10(13)7-14-15/h7-9,11H,2-6,13H2,1H3
InChIKeyKKELIFKZTLUOSN-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.76
Rot. Bonds3

About ethyl 4-(4-aminopyrazol-1-yl)cyclohexane-1-carboxylate

ethyl 4-(4-aminopyrazol-1-yl)cyclohexane-1-carboxylate (PubChem CID 118456724) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is ethyl 4-(4-aminopyrazol-1-yl)cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-aminopyrazol-1-yl)cyclohexane-1-carboxylate
PubChem CID118456724
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Nameethyl 4-(4-aminopyrazol-1-yl)cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(n2cc(N)cn2)CC1
InChIInChI=1S/C12H19N3O2/c1-2-17-12(16)9-3-5-11(6-4-9)15-8-10(13)7-14-15/h7-9,11H,2-6,13H2,1H3
InChIKeyKKELIFKZTLUOSN-UHFFFAOYSA-N
XLogP1.76
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 ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-aminopyrazol-1-yl)cyclohexane-1-carboxylate?
The IUPAC name of ethyl 4-(4-aminopyrazol-1-yl)cyclohexane-1-carboxylate (CID 118456724) is ethyl 4-(4-aminopyrazol-1-yl)cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 4-(4-aminopyrazol-1-yl)cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 4-(4-aminopyrazol-1-yl)cyclohexane-1-carboxylate is CCOC(=O)C1CCC(n2cc(N)cn2)CC1.
What is the InChIKey of ethyl 4-(4-aminopyrazol-1-yl)cyclohexane-1-carboxylate?
The InChIKey is KKELIFKZTLUOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-2-17-12(16)9-3-5-11(6-4-9)15-8-10(13)7-14-15/h7-9,11H,2-6,13H2,1H3.
What are the key properties of ethyl 4-(4-aminopyrazol-1-yl)cyclohexane-1-carboxylate?
ethyl 4-(4-aminopyrazol-1-yl)cyclohexane-1-carboxylate has a molecular weight of 237.30 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-aminopyrazol-1-yl)cyclohexane-1-carboxylate is sourced from PubChem (CID 118456724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).