3-(4-iodopyrazol-1-yl)-1-(methylamino)cyclohexane-1-carboxamide

C11H17IN4O — CID 79638137

IUPAC3-(4-iodopyrazol-1-yl)-1-(methylamino)cyclohexane-1-carboxamide
SMILESCNC1(C(N)=O)CCCC(n2cc(I)cn2)C1
InChIInChI=1S/C11H17IN4O/c1-14-11(10(13)17)4-2-3-9(5-11)16-7-8(12)6-15-16/h6-7,9,14H,2-5H2,1H3,(H2,13,17)
InChIKeyQOLSVXKMNBWJDR-UHFFFAOYSA-N
MW348.19 g/mol
LogP1.05
Rot. Bonds3

About 3-(4-iodopyrazol-1-yl)-1-(methylamino)cyclohexane-1-carboxamide

3-(4-iodopyrazol-1-yl)-1-(methylamino)cyclohexane-1-carboxamide (PubChem CID 79638137) has the molecular formula C11H17IN4O and a molecular weight of 348.19 g/mol. Its IUPAC name is 3-(4-iodopyrazol-1-yl)-1-(methylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-(4-iodopyrazol-1-yl)-1-(methylamino)cyclohexane-1-carboxamide
PubChem CID79638137
Molecular FormulaC11H17IN4O
Molecular Weight348.19 g/mol
Exact Mass348.04
IUPAC Name3-(4-iodopyrazol-1-yl)-1-(methylamino)cyclohexane-1-carboxamide
SMILESCNC1(C(N)=O)CCCC(n2cc(I)cn2)C1
InChIInChI=1S/C11H17IN4O/c1-14-11(10(13)17)4-2-3-9(5-11)16-7-8(12)6-15-16/h6-7,9,14H,2-5H2,1H3,(H2,13,17)
InChIKeyQOLSVXKMNBWJDR-UHFFFAOYSA-N
XLogP1.05
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.19
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-iodopyrazol-1-yl)-1-(methylamino)cyclohexane-1-carboxamide?
The IUPAC name of 3-(4-iodopyrazol-1-yl)-1-(methylamino)cyclohexane-1-carboxamide (CID 79638137) is 3-(4-iodopyrazol-1-yl)-1-(methylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-(4-iodopyrazol-1-yl)-1-(methylamino)cyclohexane-1-carboxamide?
The canonical SMILES for 3-(4-iodopyrazol-1-yl)-1-(methylamino)cyclohexane-1-carboxamide is CNC1(C(N)=O)CCCC(n2cc(I)cn2)C1.
What is the InChIKey of 3-(4-iodopyrazol-1-yl)-1-(methylamino)cyclohexane-1-carboxamide?
The InChIKey is QOLSVXKMNBWJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17IN4O/c1-14-11(10(13)17)4-2-3-9(5-11)16-7-8(12)6-15-16/h6-7,9,14H,2-5H2,1H3,(H2,13,17).
What are the key properties of 3-(4-iodopyrazol-1-yl)-1-(methylamino)cyclohexane-1-carboxamide?
3-(4-iodopyrazol-1-yl)-1-(methylamino)cyclohexane-1-carboxamide has a molecular weight of 348.19 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-iodopyrazol-1-yl)-1-(methylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 79638137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).