2-(4-chloropyrazol-1-yl)-N-cycloheptylpropanamide

C13H20ClN3O — CID 19538406

IUPAC2-(4-chloropyrazol-1-yl)-N-cycloheptylpropanamide
SMILESCC(C(=O)NC1CCCCCC1)n1cc(Cl)cn1
InChIInChI=1S/C13H20ClN3O/c1-10(17-9-11(14)8-15-17)13(18)16-12-6-4-2-3-5-7-12/h8-10,12H,2-7H2,1H3,(H,16,18)
InChIKeyCFSXESBYEUMTJS-UHFFFAOYSA-N
MW269.78 g/mol
LogP2.94
Rot. Bonds3

About 2-(4-chloropyrazol-1-yl)-N-cycloheptylpropanamide

2-(4-chloropyrazol-1-yl)-N-cycloheptylpropanamide (PubChem CID 19538406) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 2-(4-chloropyrazol-1-yl)-N-cycloheptylpropanamide.

Molecular Properties

Compound Name2-(4-chloropyrazol-1-yl)-N-cycloheptylpropanamide
PubChem CID19538406
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name2-(4-chloropyrazol-1-yl)-N-cycloheptylpropanamide
SMILESCC(C(=O)NC1CCCCCC1)n1cc(Cl)cn1
InChIInChI=1S/C13H20ClN3O/c1-10(17-9-11(14)8-15-17)13(18)16-12-6-4-2-3-5-7-12/h8-10,12H,2-7H2,1H3,(H,16,18)
InChIKeyCFSXESBYEUMTJS-UHFFFAOYSA-N
XLogP2.94
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloropyrazol-1-yl)-N-cycloheptylpropanamide?
The IUPAC name of 2-(4-chloropyrazol-1-yl)-N-cycloheptylpropanamide (CID 19538406) is 2-(4-chloropyrazol-1-yl)-N-cycloheptylpropanamide.
What is the SMILES notation for 2-(4-chloropyrazol-1-yl)-N-cycloheptylpropanamide?
The canonical SMILES for 2-(4-chloropyrazol-1-yl)-N-cycloheptylpropanamide is CC(C(=O)NC1CCCCCC1)n1cc(Cl)cn1.
What is the InChIKey of 2-(4-chloropyrazol-1-yl)-N-cycloheptylpropanamide?
The InChIKey is CFSXESBYEUMTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-10(17-9-11(14)8-15-17)13(18)16-12-6-4-2-3-5-7-12/h8-10,12H,2-7H2,1H3,(H,16,18).
What are the key properties of 2-(4-chloropyrazol-1-yl)-N-cycloheptylpropanamide?
2-(4-chloropyrazol-1-yl)-N-cycloheptylpropanamide has a molecular weight of 269.78 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloropyrazol-1-yl)-N-cycloheptylpropanamide is sourced from PubChem (CID 19538406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).