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

C11H17N3O2 — CID 118139317

IUPACmethyl 4-(4-aminopyrazol-1-yl)cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(n2cc(N)cn2)CC1
InChIInChI=1S/C11H17N3O2/c1-16-11(15)8-2-4-10(5-3-8)14-7-9(12)6-13-14/h6-8,10H,2-5,12H2,1H3
InChIKeyLHNZCRMCFYYEDX-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.37
Rot. Bonds2

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

methyl 4-(4-aminopyrazol-1-yl)cyclohexane-1-carboxylate (PubChem CID 118139317) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is methyl 4-(4-aminopyrazol-1-yl)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(4-aminopyrazol-1-yl)cyclohexane-1-carboxylate
PubChem CID118139317
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Namemethyl 4-(4-aminopyrazol-1-yl)cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(n2cc(N)cn2)CC1
InChIInChI=1S/C11H17N3O2/c1-16-11(15)8-2-4-10(5-3-8)14-7-9(12)6-13-14/h6-8,10H,2-5,12H2,1H3
InChIKeyLHNZCRMCFYYEDX-UHFFFAOYSA-N
XLogP1.37
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-aminopyrazol-1-yl)cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-(4-aminopyrazol-1-yl)cyclohexane-1-carboxylate (CID 118139317) is methyl 4-(4-aminopyrazol-1-yl)cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-(4-aminopyrazol-1-yl)cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-(4-aminopyrazol-1-yl)cyclohexane-1-carboxylate is COC(=O)C1CCC(n2cc(N)cn2)CC1.
What is the InChIKey of methyl 4-(4-aminopyrazol-1-yl)cyclohexane-1-carboxylate?
The InChIKey is LHNZCRMCFYYEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-16-11(15)8-2-4-10(5-3-8)14-7-9(12)6-13-14/h6-8,10H,2-5,12H2,1H3.
What are the key properties of methyl 4-(4-aminopyrazol-1-yl)cyclohexane-1-carboxylate?
methyl 4-(4-aminopyrazol-1-yl)cyclohexane-1-carboxylate has a molecular weight of 223.28 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-aminopyrazol-1-yl)cyclohexane-1-carboxylate is sourced from PubChem (CID 118139317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).