2-chloro-N-[1-(methylcarbamoyl)cyclohexyl]-5-pyrazol-1-ylbenzamide

C18H21ClN4O2 — CID 77095745

IUPAC2-chloro-N-[1-(methylcarbamoyl)cyclohexyl]-5-pyrazol-1-ylbenzamide
SMILESCNC(=O)C1(NC(=O)c2cc(-n3cccn3)ccc2Cl)CCCCC1
InChIInChI=1S/C18H21ClN4O2/c1-20-17(25)18(8-3-2-4-9-18)22-16(24)14-12-13(6-7-15(14)19)23-11-5-10-21-23/h5-7,10-12H,2-4,8-9H2,1H3,(H,20,25)(H,22,24)
InChIKeyMKXKOLWFDDZQJJ-UHFFFAOYSA-N
MW360.85 g/mol
LogP2.70
Rot. Bonds4

About 2-chloro-N-[1-(methylcarbamoyl)cyclohexyl]-5-pyrazol-1-ylbenzamide

2-chloro-N-[1-(methylcarbamoyl)cyclohexyl]-5-pyrazol-1-ylbenzamide (PubChem CID 77095745) has the molecular formula C18H21ClN4O2 and a molecular weight of 360.85 g/mol. Its IUPAC name is 2-chloro-N-[1-(methylcarbamoyl)cyclohexyl]-5-pyrazol-1-ylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[1-(methylcarbamoyl)cyclohexyl]-5-pyrazol-1-ylbenzamide
PubChem CID77095745
Molecular FormulaC18H21ClN4O2
Molecular Weight360.85 g/mol
Exact Mass360.14
IUPAC Name2-chloro-N-[1-(methylcarbamoyl)cyclohexyl]-5-pyrazol-1-ylbenzamide
SMILESCNC(=O)C1(NC(=O)c2cc(-n3cccn3)ccc2Cl)CCCCC1
InChIInChI=1S/C18H21ClN4O2/c1-20-17(25)18(8-3-2-4-9-18)22-16(24)14-12-13(6-7-15(14)19)23-11-5-10-21-23/h5-7,10-12H,2-4,8-9H2,1H3,(H,20,25)(H,22,24)
InChIKeyMKXKOLWFDDZQJJ-UHFFFAOYSA-N
XLogP2.70
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.85
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(methylcarbamoyl)cyclohexyl]-5-pyrazol-1-ylbenzamide?
The IUPAC name of 2-chloro-N-[1-(methylcarbamoyl)cyclohexyl]-5-pyrazol-1-ylbenzamide (CID 77095745) is 2-chloro-N-[1-(methylcarbamoyl)cyclohexyl]-5-pyrazol-1-ylbenzamide.
What is the SMILES notation for 2-chloro-N-[1-(methylcarbamoyl)cyclohexyl]-5-pyrazol-1-ylbenzamide?
The canonical SMILES for 2-chloro-N-[1-(methylcarbamoyl)cyclohexyl]-5-pyrazol-1-ylbenzamide is CNC(=O)C1(NC(=O)c2cc(-n3cccn3)ccc2Cl)CCCCC1.
What is the InChIKey of 2-chloro-N-[1-(methylcarbamoyl)cyclohexyl]-5-pyrazol-1-ylbenzamide?
The InChIKey is MKXKOLWFDDZQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O2/c1-20-17(25)18(8-3-2-4-9-18)22-16(24)14-12-13(6-7-15(14)19)23-11-5-10-21-23/h5-7,10-12H,2-4,8-9H2,1H3,(H,20,25)(H,22,24).
What are the key properties of 2-chloro-N-[1-(methylcarbamoyl)cyclohexyl]-5-pyrazol-1-ylbenzamide?
2-chloro-N-[1-(methylcarbamoyl)cyclohexyl]-5-pyrazol-1-ylbenzamide has a molecular weight of 360.85 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(methylcarbamoyl)cyclohexyl]-5-pyrazol-1-ylbenzamide is sourced from PubChem (CID 77095745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).