3-(4-chloropyrazol-1-yl)-1-(cyclopropylamino)cyclohexane-1-carboxamide

C13H19ClN4O — CID 79637451

IUPAC3-(4-chloropyrazol-1-yl)-1-(cyclopropylamino)cyclohexane-1-carboxamide
SMILESNC(=O)C1(NC2CC2)CCCC(n2cc(Cl)cn2)C1
InChIInChI=1S/C13H19ClN4O/c14-9-7-16-18(8-9)11-2-1-5-13(6-11,12(15)19)17-10-3-4-10/h7-8,10-11,17H,1-6H2,(H2,15,19)
InChIKeyAICFFDSHGNVYSX-UHFFFAOYSA-N
MW282.77 g/mol
LogP1.63
Rot. Bonds4

About 3-(4-chloropyrazol-1-yl)-1-(cyclopropylamino)cyclohexane-1-carboxamide

3-(4-chloropyrazol-1-yl)-1-(cyclopropylamino)cyclohexane-1-carboxamide (PubChem CID 79637451) has the molecular formula C13H19ClN4O and a molecular weight of 282.77 g/mol. Its IUPAC name is 3-(4-chloropyrazol-1-yl)-1-(cyclopropylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-(4-chloropyrazol-1-yl)-1-(cyclopropylamino)cyclohexane-1-carboxamide
PubChem CID79637451
Molecular FormulaC13H19ClN4O
Molecular Weight282.77 g/mol
Exact Mass282.12
IUPAC Name3-(4-chloropyrazol-1-yl)-1-(cyclopropylamino)cyclohexane-1-carboxamide
SMILESNC(=O)C1(NC2CC2)CCCC(n2cc(Cl)cn2)C1
InChIInChI=1S/C13H19ClN4O/c14-9-7-16-18(8-9)11-2-1-5-13(6-11,12(15)19)17-10-3-4-10/h7-8,10-11,17H,1-6H2,(H2,15,19)
InChIKeyAICFFDSHGNVYSX-UHFFFAOYSA-N
XLogP1.63
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloropyrazol-1-yl)-1-(cyclopropylamino)cyclohexane-1-carboxamide?
The IUPAC name of 3-(4-chloropyrazol-1-yl)-1-(cyclopropylamino)cyclohexane-1-carboxamide (CID 79637451) is 3-(4-chloropyrazol-1-yl)-1-(cyclopropylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-(4-chloropyrazol-1-yl)-1-(cyclopropylamino)cyclohexane-1-carboxamide?
The canonical SMILES for 3-(4-chloropyrazol-1-yl)-1-(cyclopropylamino)cyclohexane-1-carboxamide is NC(=O)C1(NC2CC2)CCCC(n2cc(Cl)cn2)C1.
What is the InChIKey of 3-(4-chloropyrazol-1-yl)-1-(cyclopropylamino)cyclohexane-1-carboxamide?
The InChIKey is AICFFDSHGNVYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4O/c14-9-7-16-18(8-9)11-2-1-5-13(6-11,12(15)19)17-10-3-4-10/h7-8,10-11,17H,1-6H2,(H2,15,19).
What are the key properties of 3-(4-chloropyrazol-1-yl)-1-(cyclopropylamino)cyclohexane-1-carboxamide?
3-(4-chloropyrazol-1-yl)-1-(cyclopropylamino)cyclohexane-1-carboxamide has a molecular weight of 282.77 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloropyrazol-1-yl)-1-(cyclopropylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 79637451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).